1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine

C177H245N33O4 — CID 158176627

IUPAC1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
SMILESCC(C)c1cc2n(n1)CC(=O)N(C)CC2.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2c1CCN2C.CC(C)c1ccnc2c1ccn2C.CC(C)c1ccnc2c1ccn2C(C)C.CC(C)c1cn(C)c2cnncc12.CC(C)c1cnc2c(=O)n(C)ccn12.CC(C)c1cnc2n1CCCCC2.CC(C)c1cnn2c1CCCCC2.CC(C)c1cnn2c1OC[C@@H](C)C2.CCn1ccc2c(C(C)C)ccnc21.COCCn1ccc2c(C(C)C)ccnc21
InChIInChI=1S/C13H18N2O.C13H18N2.C12H16N2.C12H15N.C11H17N3O.C11H16N2.2C11H14N2.2C11H18N2.C11H13N.C10H13N3O.C10H13N3.C10H16N2O.C10H14N2.C10H12N2/c1-10(2)11-4-6-14-13-12(11)5-7-15(13)8-9-16-3;1-9(2)11-5-7-14-13-12(11)6-8-15(13)10(3)4;1-4-14-8-6-11-10(9(2)3)5-7-13-12(11)14;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)10-6-9-4-5-13(3)11(15)7-14(9)12-10;2*1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-9(2)10-8-12-11-6-4-3-5-7-13(10)11;1-9(2)10-8-12-13-7-5-3-4-6-11(10)13;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)8-6-11-9-10(14)12(3)4-5-13(8)9;1-7(2)9-6-13(3)10-5-12-11-4-8(9)10;1-7(2)9-4-11-12-5-8(3)6-13-10(9)12;2*1-7(2)8-3-5-11-10-9(8)4-6-12-10/h4-7,10H,8-9H2,1-3H3;5-10H,1-4H3;5-9H,4H2,1-3H3;4-9H,1-3H3;6,8H,4-5,7H2,1-3H3;4,6,8H,5,7H2,1-3H3;2*4-8H,1-3H3;2*8-9H,3-7H2,1-2H3;3-8,12H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;4,7-8H,5-6H2,1-3H3;3,5,7H,4,6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12)/t;;;;;;;;;;;;;8-;;/m.............0../s1
InChIKeyFYBRRNVONOPIHN-YHLQFEMYSA-N
MW2899.13 g/mol
LogP40.54
Rot. Bonds21

About 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine

1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine (PubChem CID 158176627) has the molecular formula C177H245N33O4 and a molecular weight of 2899.13 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
PubChem CID158176627
Molecular FormulaC177H245N33O4
Molecular Weight2899.13 g/mol
Exact Mass2897.00
IUPAC Name1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
SMILESCC(C)c1cc2n(n1)CC(=O)N(C)CC2.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2c1CCN2C.CC(C)c1ccnc2c1ccn2C.CC(C)c1ccnc2c1ccn2C(C)C.CC(C)c1cn(C)c2cnncc12.CC(C)c1cnc2c(=O)n(C)ccn12.CC(C)c1cnc2n1CCCCC2.CC(C)c1cnn2c1CCCCC2.CC(C)c1cnn2c1OC[C@@H](C)C2.CCn1ccc2c(C(C)C)ccnc21.COCCn1ccc2c(C(C)C)ccnc21
InChIInChI=1S/C13H18N2O.C13H18N2.C12H16N2.C12H15N.C11H17N3O.C11H16N2.2C11H14N2.2C11H18N2.C11H13N.C10H13N3O.C10H13N3.C10H16N2O.C10H14N2.C10H12N2/c1-10(2)11-4-6-14-13-12(11)5-7-15(13)8-9-16-3;1-9(2)11-5-7-14-13-12(11)6-8-15(13)10(3)4;1-4-14-8-6-11-10(9(2)3)5-7-13-12(11)14;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)10-6-9-4-5-13(3)11(15)7-14(9)12-10;2*1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-9(2)10-8-12-11-6-4-3-5-7-13(10)11;1-9(2)10-8-12-13-7-5-3-4-6-11(10)13;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)8-6-11-9-10(14)12(3)4-5-13(8)9;1-7(2)9-6-13(3)10-5-12-11-4-8(9)10;1-7(2)9-4-11-12-5-8(3)6-13-10(9)12;2*1-7(2)8-3-5-11-10-9(8)4-6-12-10/h4-7,10H,8-9H2,1-3H3;5-10H,1-4H3;5-9H,4H2,1-3H3;4-9H,1-3H3;6,8H,4-5,7H2,1-3H3;4,6,8H,5,7H2,1-3H3;2*4-8H,1-3H3;2*8-9H,3-7H2,1-2H3;3-8,12H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;4,7-8H,5-6H2,1-3H3;3,5,7H,4,6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12)/t;;;;;;;;;;;;;8-;;/m.............0../s1
InChIKeyFYBRRNVONOPIHN-YHLQFEMYSA-N
XLogP40.54
TPSA359.61 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds21
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002899.13
LogP ≤ 540.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine with MolForge

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Related Compounds

(2R)-4,4-difluoro-N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-[1-[2-[1-methyl-4-[[5-methyl-4-[7-[[(2R)-1-[(3S)-1-methylpyrrolidin-3-yl]pyrrolidine-2-carbonyl]amino]-1H-indol-3-yl]pyrimidin-2-yl]amino]pyrazol-3-yl]oxyethyl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 167088874
(R)-N-(3-(2-((3-Methoxy-1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-1H-indol-7-yl)-2-(4-methylpiperazin-1-yl)propanamide hemi ethyl acetate solvate
CID 163203546
(2S)-N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-5-[1-methyl-4-[[5-methyl-4-[7-[2-[4-[2-[1-methyl-4-[[4-[7-[[(2R)-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]pyrimidin-2-yl]amino]pyrazol-3-yl]oxyethyl]piperazin-1-yl]butanoylamino]-1H-pyrrolo[2,3-c]pyridin-3-yl]pyrimidin-2-yl]amino]pyrazol-3-yl]oxy-2-(4-methylpiperazin-1-yl)pentanamide
CID 146497674
(2R)-N-[3-[2-[[3-[2-[4-[1-hydroxy-1-[[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]amino]butan-2-yl]piperazin-1-yl]ethoxy]-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-2-(4-methylpiperazin-1-yl)propanamide
CID 146497713
8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 157257467
ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
CID 157494923
CID 157533328
CID 157533328
ethane;3-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 157631737
1-[3-(1H-benzimidazol-4-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]-1-morpholin-4-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(2-methylindazol-6-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-pyrrolidin-3-ylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol
CID 157874811
1-[3-(1H-benzimidazol-4-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(3-cyclohexylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]piperidin-1-yl]ethanone;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-1-morpholin-4-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindol-6-yl)-2-pyridinyl]amino]propan-2-ol);1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]phenoxy]propan-2-ol
CID 158341309
CID 158384006
CID 158384006
1-(difluoromethyl)-4-propan-2-ylindole;1,4-di(propan-2-yl)indole;1-ethyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;bis(1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-methyl-4-propan-2-ylindole;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;bis(4-propan-2-yl-1H-indole);2-(4-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine
CID 158735660

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The IUPAC name of 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine (CID 158176627) is 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine.
What is the SMILES notation for 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The canonical SMILES for 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine is CC(C)c1cc2n(n1)CC(=O)N(C)CC2.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2c1CCN2C.CC(C)c1ccnc2c1ccn2C.CC(C)c1ccnc2c1ccn2C(C)C.CC(C)c1cn(C)c2cnncc12.CC(C)c1cnc2c(=O)n(C)ccn12.CC(C)c1cnc2n1CCCCC2.CC(C)c1cnn2c1CCCCC2.CC(C)c1cnn2c1OC[C@@H](C)C2.CCn1ccc2c(C(C)C)ccnc21.COCCn1ccc2c(C(C)C)ccnc21.
What is the InChIKey of 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The InChIKey is FYBRRNVONOPIHN-YHLQFEMYSA-N. The full InChI is InChI=1S/C13H18N2O.C13H18N2.C12H16N2.C12H15N.C11H17N3O.C11H16N2.2C11H14N2.2C11H18N2.C11H13N.C10H13N3O.C10H13N3.C10H16N2O.C10H14N2.C10H12N2/c1-10(2)11-4-6-14-13-12(11)5-7-15(13)8-9-16-3;1-9(2)11-5-7-14-13-12(11)6-8-15(13)10(3)4;1-4-14-8-6-11-10(9(2)3)5-7-13-12(11)14;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)10-6-9-4-5-13(3)11(15)7-14(9)12-10;2*1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-9(2)10-8-12-11-6-4-3-5-7-13(10)11;1-9(2)10-8-12-13-7-5-3-4-6-11(10)13;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)8-6-11-9-10(14)12(3)4-5-13(8)9;1-7(2)9-6-13(3)10-5-12-11-4-8(9)10;1-7(2)9-4-11-12-5-8(3)6-13-10(9)12;2*1-7(2)8-3-5-11-10-9(8)4-6-12-10/h4-7,10H,8-9H2,1-3H3;5-10H,1-4H3;5-9H,4H2,1-3H3;4-9H,1-3H3;6,8H,4-5,7H2,1-3H3;4,6,8H,5,7H2,1-3H3;2*4-8H,1-3H3;2*8-9H,3-7H2,1-2H3;3-8,12H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;4,7-8H,5-6H2,1-3H3;3,5,7H,4,6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12)/t;;;;;;;;;;;;;8-;;/m.............0../s1.
What are the key properties of 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine has a molecular weight of 2899.13 g/mol, XLogP of 40.54, 21 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine is sourced from PubChem (CID 158176627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).