3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine

C157H229N21O — CID 158778026

IUPAC3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine
SMILESCC(C)C1=CN=C(C(C)C)C1.CC(C)C1=Cc2ccc(C(C)C)cc2C1.CC(C)C1=Cc2ccc(C(C)C)nc2C1.CC(C)C1=Cc2ncc(C(C)C)nc2C1.CC(C)C1=NN=C(C(C)C)C1.CC(C)C1=Nc2ccc(C(C)C)cc2C1.CC(C)C1=Nc2cnc(C(C)C)nc2C1.CC(C)C1=Nc2ncc(C(C)C)cc2C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1ccc2[nH]c(C(C)C)cc2c1.CC(C)c1ccc2c(C(C)C)c[nH]c2c1.CC(C)c1cnc2nc(C(C)C)[nH]c2n1.CC(C)c1coc(C(C)C)n1
InChIInChI=1S/C15H20.4C14H19N.2C13H18N2.C12H17N3.C11H16N4.C10H17N.2C9H16N2.C9H15NO/c1-10(2)12-5-6-13-8-14(11(3)4)9-15(13)7-12;1-9(2)12-7-11-5-6-13(10(3)4)15-14(11)8-12;2*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-8(2)11-5-10-6-12(9(3)4)15-13(10)14-7-11;1-8(2)10-5-11-12(6-10)15-13(7-14-11)9(3)4;1-7(2)9-5-10-11(14-9)6-13-12(15-10)8(3)4;1-6(2)8-5-12-10-11(13-8)15-9(14-10)7(3)4;1-7(2)9-5-10(8(3)4)11-6-9;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4/h5-8,10-11H,9H2,1-4H3;2*5-7,9-10H,8H2,1-4H3;2*5-10,15H,1-4H3;2*5,7-9H,6H2,1-4H3;6-8H,5H2,1-4H3;5-7H,1-4H3,(H,12,13,14,15);6-8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3
InChIKeyIQSJBUNDPRJLDM-UHFFFAOYSA-N
MW2426.70 g/mol
LogP44.40
Rot. Bonds26

About 3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine

3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine (PubChem CID 158778026) has the molecular formula C157H229N21O and a molecular weight of 2426.70 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine
PubChem CID158778026
Molecular FormulaC157H229N21O
Molecular Weight2426.70 g/mol
Exact Mass2424.85
IUPAC Name3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine
SMILESCC(C)C1=CN=C(C(C)C)C1.CC(C)C1=Cc2ccc(C(C)C)cc2C1.CC(C)C1=Cc2ccc(C(C)C)nc2C1.CC(C)C1=Cc2ncc(C(C)C)nc2C1.CC(C)C1=NN=C(C(C)C)C1.CC(C)C1=Nc2ccc(C(C)C)cc2C1.CC(C)C1=Nc2cnc(C(C)C)nc2C1.CC(C)C1=Nc2ncc(C(C)C)cc2C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1ccc2[nH]c(C(C)C)cc2c1.CC(C)c1ccc2c(C(C)C)c[nH]c2c1.CC(C)c1cnc2nc(C(C)C)[nH]c2n1.CC(C)c1coc(C(C)C)n1
InChIInChI=1S/C15H20.4C14H19N.2C13H18N2.C12H17N3.C11H16N4.C10H17N.2C9H16N2.C9H15NO/c1-10(2)12-5-6-13-8-14(11(3)4)9-15(13)7-12;1-9(2)12-7-11-5-6-13(10(3)4)15-14(11)8-12;2*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-8(2)11-5-10-6-12(9(3)4)15-13(10)14-7-11;1-8(2)10-5-11-12(6-10)15-13(7-14-11)9(3)4;1-7(2)9-5-10-11(14-9)6-13-12(15-10)8(3)4;1-6(2)8-5-12-10-11(13-8)15-9(14-10)7(3)4;1-7(2)9-5-10(8(3)4)11-6-9;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4/h5-8,10-11H,9H2,1-4H3;2*5-7,9-10H,8H2,1-4H3;2*5-10,15H,1-4H3;2*5,7-9H,6H2,1-4H3;6-8H,5H2,1-4H3;5-7H,1-4H3,(H,12,13,14,15);6-8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3
InChIKeyIQSJBUNDPRJLDM-UHFFFAOYSA-N
XLogP44.40
TPSA292.25 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002426.70
LogP ≤ 544.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine with MolForge

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Related Compounds

3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide
CID 159174326
3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylbenzamide
CID 159268866
N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine
CID 157115673
methane;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;7-piperidin-1-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 157126961
4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane
CID 157150330
3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole;5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole
CID 157215205
3,6-ditert-butyl-5H-cyclopenta[b]pyrazine;2,6-ditert-butyl-7H-cyclopenta[b]pyridine;2,5-ditert-butyl-1H-imidazo[4,5-b]pyridine;2,6-ditert-butyl-1H-indene;2,5-ditert-butyl-1H-indole;2,5-ditert-butyl-3H-indole;2,5-ditert-butyl-3H-pyrrolo[2,3-b]pyridine;2,5-ditert-butyl-3H-pyrrolo[2,3-c]pyridine;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole
CID 157256365
3-methyl-N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;7-pyridin-2-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 157320176
1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane
CID 157350478
3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,6-di(propan-2-yl)-7H-cyclopenta[d]pyrimidine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;2,8-di(propan-2-yl)-7H-purine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine
CID 157409423
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine
CID 157431596
N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;7-pyridin-2-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 157493822

Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine (CID 158778026) is 3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine is CC(C)C1=CN=C(C(C)C)C1.CC(C)C1=Cc2ccc(C(C)C)cc2C1.CC(C)C1=Cc2ccc(C(C)C)nc2C1.CC(C)C1=Cc2ncc(C(C)C)nc2C1.CC(C)C1=NN=C(C(C)C)C1.CC(C)C1=Nc2ccc(C(C)C)cc2C1.CC(C)C1=Nc2cnc(C(C)C)nc2C1.CC(C)C1=Nc2ncc(C(C)C)cc2C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1ccc2[nH]c(C(C)C)cc2c1.CC(C)c1ccc2c(C(C)C)c[nH]c2c1.CC(C)c1cnc2nc(C(C)C)[nH]c2n1.CC(C)c1coc(C(C)C)n1.
What is the InChIKey of 3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is IQSJBUNDPRJLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20.4C14H19N.2C13H18N2.C12H17N3.C11H16N4.C10H17N.2C9H16N2.C9H15NO/c1-10(2)12-5-6-13-8-14(11(3)4)9-15(13)7-12;1-9(2)12-7-11-5-6-13(10(3)4)15-14(11)8-12;2*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-8(2)11-5-10-6-12(9(3)4)15-13(10)14-7-11;1-8(2)10-5-11-12(6-10)15-13(7-14-11)9(3)4;1-7(2)9-5-10-11(14-9)6-13-12(15-10)8(3)4;1-6(2)8-5-12-10-11(13-8)15-9(14-10)7(3)4;1-7(2)9-5-10(8(3)4)11-6-9;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4/h5-8,10-11H,9H2,1-4H3;2*5-7,9-10H,8H2,1-4H3;2*5-10,15H,1-4H3;2*5,7-9H,6H2,1-4H3;6-8H,5H2,1-4H3;5-7H,1-4H3,(H,12,13,14,15);6-8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine?
3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 2426.70 g/mol, XLogP of 44.40, 26 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 158778026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).