2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C77H93N21O3 — CID 157071895

About 2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 157071895) has the molecular formula C77H93N21O3 and a molecular weight of 1360.73 g/mol. Its IUPAC name is 2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
• PubChem CID: 157071895
• Molecular Formula: C77H93N21O3
• Molecular Weight: 1360.73 g/mol
• Exact Mass: 1359.78
• IUPAC Name: 2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
• SMILES: CC(=O)n1cc(-c2ccnc(NC3CCCCC3)n2)c2cccnc21.CN(C)CCn1cc(-c2ccnc(NC3CCCCC3)n2)c2cccnc21.Cn1cc(-c2ccnc(NC3CCC(O)CC3)n2)c2cccnc21.OCCn1cc(-c2ccnc(NC3CCCCC3)n2)c2cccnc21
• InChI: InChI=1S/C21H28N6.C19H21N5O.C19H23N5O.C18H21N5O/c1-26(2)13-14-27-15-18(17-9-6-11-22-20(17)27)19-10-12-23-21(25-19)24-16-7-4-3-5-8-16;1-13(25)24-12-16(15-8-5-10-20-18(15)24)17-9-11-21-19(23-17)22-14-6-3-2-4-7-14;25-12-11-24-13-16(15-7-4-9-20-18(15)24)17-8-10-21-19(23-17)22-14-5-2-1-3-6-14;1-23-11-15(14-3-2-9-19-17(14)23)16-8-10-20-18(22-16)21-12-4-6-13(24)7-5-12/h6,9-12,15-16H,3-5,7-8,13-14H2,1-2H3,(H,23,24,25);5,8-12,14H,2-4,6-7H2,1H3,(H,21,22,23);4,7-10,13-14,25H,1-3,5-6,11-12H2,(H,21,22,23);2-3,8-13,24H,4-7H2,1H3,(H,20,21,22)
• InChIKey: ACNJSDXXDDQLPV-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 283.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1360.73
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?

The IUPAC name of 2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 157071895) is 2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

What is the SMILES notation for 2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?

The canonical SMILES for 2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is CC(=O)n1cc(-c2ccnc(NC3CCCCC3)n2)c2cccnc21.CN(C)CCn1cc(-c2ccnc(NC3CCCCC3)n2)c2cccnc21.Cn1cc(-c2ccnc(NC3CCC(O)CC3)n2)c2cccnc21.OCCn1cc(-c2ccnc(NC3CCCCC3)n2)c2cccnc21.

What is the InChIKey of 2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?

The InChIKey is ACNJSDXXDDQLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6.C19H21N5O.C19H23N5O.C18H21N5O/c1-26(2)13-14-27-15-18(17-9-6-11-22-20(17)27)19-10-12-23-21(25-19)24-16-7-4-3-5-8-16;1-13(25)24-12-16(15-8-5-10-20-18(15)24)17-9-11-21-19(23-17)22-14-6-3-2-4-7-14;25-12-11-24-13-16(15-7-4-9-20-18(15)24)17-8-10-21-19(23-17)22-14-5-2-1-3-6-14;1-23-11-15(14-3-2-9-19-17(14)23)16-8-10-20-18(22-16)21-12-4-6-13(24)7-5-12/h6,9-12,15-16H,3-5,7-8,13-14H2,1-2H3,(H,23,24,25);5,8-12,14H,2-4,6-7H2,1H3,(H,21,22,23);4,7-10,13-14,25H,1-3,5-6,11-12H2,(H,21,22,23);2-3,8-13,24H,4-7H2,1H3,(H,20,21,22).

What are the key properties of 2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?

2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 1360.73 g/mol, XLogP of 13.67, 17 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanol;1-[3-[2-(cyclohexylamino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanone;N-cyclohexyl-4-[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 157071895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).