1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one

C167H164N42O11 — CID 158186116

IUPAC1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
SMILESCC1CN(c2ccnc3c2ccn3CC(=O)Cc2ccc(-c3cnccn3)cn2)CC(C)O1.CN1CCN(c2ccnc3c2ccn3CC(=O)Cc2ccc(-c3cnccn3)cn2)CC1.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(C3=CCOCC3)ccnc21.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(C3CCOCC3)ccnc21.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(N3CCCCC3)ccnc21.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(N3CCNCC3)ccnc21.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(N3CCOCC3)ccnc21
InChIInChI=1S/C25H26N6O2.C24H25N7O.C24H24N6O.C24H23N5O2.C24H21N5O2.C23H23N7O.C23H22N6O2/c1-17-14-31(15-18(2)33-17)24-5-7-28-25-22(24)6-10-30(25)16-21(32)11-20-4-3-19(12-29-20)23-13-26-8-9-27-23;1-29-10-12-30(13-11-29)23-4-6-27-24-21(23)5-9-31(24)17-20(32)14-19-3-2-18(15-28-19)22-16-25-7-8-26-22;31-20(14-19-5-4-18(15-28-19)22-16-25-9-10-26-22)17-30-13-7-21-23(6-8-27-24(21)30)29-11-2-1-3-12-29;2*30-20(13-19-2-1-18(14-28-19)23-15-25-8-9-26-23)16-29-10-4-22-21(3-7-27-24(22)29)17-5-11-31-12-6-17;31-19(13-18-2-1-17(14-28-18)21-15-25-6-7-26-21)16-30-10-4-20-22(3-5-27-23(20)30)29-11-8-24-9-12-29;30-19(13-18-2-1-17(14-27-18)21-15-24-6-7-25-21)16-29-8-4-20-22(3-5-26-23(20)29)28-9-11-31-12-10-28/h3-10,12-13,17-18H,11,14-16H2,1-2H3;2-9,15-16H,10-14,17H2,1H3;4-10,13,15-16H,1-3,11-12,14,17H2;1-4,7-10,14-15,17H,5-6,11-13,16H2;1-5,7-10,14-15H,6,11-13,16H2;1-7,10,14-15,24H,8-9,11-13,16H2;1-8,14-15H,9-13,16H2
InChIKeyFZDRIZNQCAERRA-UHFFFAOYSA-N
MW2935.43 g/mol
LogP21.20
Rot. Bonds42

About 1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one

1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one (PubChem CID 158186116) has the molecular formula C167H164N42O11 and a molecular weight of 2935.43 g/mol. Its IUPAC name is 1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
PubChem CID158186116
Molecular FormulaC167H164N42O11
Molecular Weight2935.43 g/mol
Exact Mass2933.36
IUPAC Name1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
SMILESCC1CN(c2ccnc3c2ccn3CC(=O)Cc2ccc(-c3cnccn3)cn2)CC(C)O1.CN1CCN(c2ccnc3c2ccn3CC(=O)Cc2ccc(-c3cnccn3)cn2)CC1.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(C3=CCOCC3)ccnc21.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(C3CCOCC3)ccnc21.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(N3CCCCC3)ccnc21.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(N3CCNCC3)ccnc21.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(N3CCOCC3)ccnc21
InChIInChI=1S/C25H26N6O2.C24H25N7O.C24H24N6O.C24H23N5O2.C24H21N5O2.C23H23N7O.C23H22N6O2/c1-17-14-31(15-18(2)33-17)24-5-7-28-25-22(24)6-10-30(25)16-21(32)11-20-4-3-19(12-29-20)23-13-26-8-9-27-23;1-29-10-12-30(13-11-29)23-4-6-27-24-21(23)5-9-31(24)17-20(32)14-19-3-2-18(15-28-19)22-16-25-7-8-26-22;31-20(14-19-5-4-18(15-28-19)22-16-25-9-10-26-22)17-30-13-7-21-23(6-8-27-24(21)30)29-11-2-1-3-12-29;2*30-20(13-19-2-1-18(14-28-19)23-15-25-8-9-26-23)16-29-10-4-22-21(3-7-27-24(22)29)17-5-11-31-12-6-17;31-19(13-18-2-1-17(14-28-18)21-15-25-6-7-26-21)16-30-10-4-20-22(3-5-27-23(20)30)29-11-8-24-9-12-29;30-19(13-18-2-1-17(14-27-18)21-15-24-6-7-25-21)16-29-8-4-20-22(3-5-26-23(20)29)28-9-11-31-12-10-28/h3-10,12-13,17-18H,11,14-16H2,1-2H3;2-9,15-16H,10-14,17H2,1H3;4-10,13,15-16H,1-3,11-12,14,17H2;1-4,7-10,14-15,17H,5-6,11-13,16H2;1-5,7-10,14-15H,6,11-13,16H2;1-7,10,14-15,24H,8-9,11-13,16H2;1-8,14-15H,9-13,16H2
InChIKeyFZDRIZNQCAERRA-UHFFFAOYSA-N
XLogP21.20
TPSA583.31 Ų
H-Bond Donors1
H-Bond Acceptors53
Rotatable Bonds42
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002935.43
LogP ≤ 521.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1053

Analyze 1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one with MolForge

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Launch Full Analysis

Related Compounds

7-[[6-[[(3R)-3-hydroxy-4-[4-[7-[[6-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridin-7-ium-7-yl]pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156652042
1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one
CID 157249829
[(2R)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butyl 2-amino-3-methylbutanoate;[(2R)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butyl] 2-amino-4-methylpentanoate;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butyl 2-amino-4-methylpentanoate
CID 157295717
[(2S)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2R)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butyl] 2-amino-4-methylpentanoate;[(2R)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butyl] 2-amino-4-methylpentanoate
CID 157295718
[(2R)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butyl 2-amino-3-methylbutanoate;[(2S)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butyl] 2-amino-4-methylpentanoate;[(2R)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butyl] 2-amino-4-methylpentanoate
CID 157295719
1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
CID 157314430
2-[[5-(4-Cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one
CID 157420825
2-[6-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;1-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 157683444
2-[[5-(4-Methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one
CID 157872470
N-methyl-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide;N-methyl-6-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]hexanamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one;8-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]octan-3-one
CID 157957993
1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one
CID 158033437
Methane;2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one
CID 158162955

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The IUPAC name of 1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one (CID 158186116) is 1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one is CC1CN(c2ccnc3c2ccn3CC(=O)Cc2ccc(-c3cnccn3)cn2)CC(C)O1.CN1CCN(c2ccnc3c2ccn3CC(=O)Cc2ccc(-c3cnccn3)cn2)CC1.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(C3=CCOCC3)ccnc21.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(C3CCOCC3)ccnc21.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(N3CCCCC3)ccnc21.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(N3CCNCC3)ccnc21.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(N3CCOCC3)ccnc21.
What is the InChIKey of 1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The InChIKey is FZDRIZNQCAERRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2.C24H25N7O.C24H24N6O.C24H23N5O2.C24H21N5O2.C23H23N7O.C23H22N6O2/c1-17-14-31(15-18(2)33-17)24-5-7-28-25-22(24)6-10-30(25)16-21(32)11-20-4-3-19(12-29-20)23-13-26-8-9-27-23;1-29-10-12-30(13-11-29)23-4-6-27-24-21(23)5-9-31(24)17-20(32)14-19-3-2-18(15-28-19)22-16-25-7-8-26-22;31-20(14-19-5-4-18(15-28-19)22-16-25-9-10-26-22)17-30-13-7-21-23(6-8-27-24(21)30)29-11-2-1-3-12-29;2*30-20(13-19-2-1-18(14-28-19)23-15-25-8-9-26-23)16-29-10-4-22-21(3-7-27-24(22)29)17-5-11-31-12-6-17;31-19(13-18-2-1-17(14-28-18)21-15-25-6-7-26-21)16-30-10-4-20-22(3-5-27-23(20)30)29-11-8-24-9-12-29;30-19(13-18-2-1-17(14-27-18)21-15-24-6-7-25-21)16-29-8-4-20-22(3-5-26-23(20)29)28-9-11-31-12-10-28/h3-10,12-13,17-18H,11,14-16H2,1-2H3;2-9,15-16H,10-14,17H2,1H3;4-10,13,15-16H,1-3,11-12,14,17H2;1-4,7-10,14-15,17H,5-6,11-13,16H2;1-5,7-10,14-15H,6,11-13,16H2;1-7,10,14-15,24H,8-9,11-13,16H2;1-8,14-15H,9-13,16H2.
What are the key properties of 1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one has a molecular weight of 2935.43 g/mol, XLogP of 21.20, 42 rotatable bonds, 1 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,6-dihydro-2H-pyran-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 158186116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).