[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol

C72H82N18O4 — CID 164952665

About [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol

[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 164952665) has the molecular formula C72H82N18O4 and a molecular weight of 1263.57 g/mol. Its IUPAC name is [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

• Compound Name: [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol
• PubChem CID: 164952665
• Molecular Formula: C72H82N18O4
• Molecular Weight: 1263.57 g/mol
• Exact Mass: 1262.68
• IUPAC Name: [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol
• SMILES: Cc1n[nH]c(C)c1-c1cn2c(-c3cccc(NC4CCCC4)n3)cnc2cc1CO.OCc1cc2ncc(-c3cccc(NC4CCCC4)n3)n2cc1-c1cc[nH]c1.OCc1cc2ncc(-c3cccc(NC4CCCC4)n3)n2cc1-c1cnn(CCN2CCOCC2)c1
• InChI: InChI=1S/C27H33N7O2.C23H26N6O.C22H23N5O/c35-19-20-14-27-28-16-25(24-6-3-7-26(31-24)30-22-4-1-2-5-22)34(27)18-23(20)21-15-29-33(17-21)9-8-32-10-12-36-13-11-32;1-14-23(15(2)28-27-14)18-12-29-20(11-24-22(29)10-16(18)13-30)19-8-5-9-21(26-19)25-17-6-3-4-7-17;28-14-16-10-22-24-12-20(27(22)13-18(16)15-8-9-23-11-15)19-6-3-7-21(26-19)25-17-4-1-2-5-17/h3,6-7,14-18,22,35H,1-2,4-5,8-13,19H2,(H,30,31);5,8-12,17,30H,3-4,6-7,13H2,1-2H3,(H,25,26)(H,27,28);3,6-13,17,23,28H,1-2,4-5,14H2,(H,25,26)
• InChIKey: ATDXJIHZKDCVPA-UHFFFAOYSA-N
• XLogP: 11.93
• TPSA: 262.11 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1263.57
LogP ≤ 5	11.93
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol?

The IUPAC name of [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol (CID 164952665) is [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol.

What is the SMILES notation for [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol?

The canonical SMILES for [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol is Cc1n[nH]c(C)c1-c1cn2c(-c3cccc(NC4CCCC4)n3)cnc2cc1CO.OCc1cc2ncc(-c3cccc(NC4CCCC4)n3)n2cc1-c1cc[nH]c1.OCc1cc2ncc(-c3cccc(NC4CCCC4)n3)n2cc1-c1cnn(CCN2CCOCC2)c1.

What is the InChIKey of [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol?

The InChIKey is ATDXJIHZKDCVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2.C23H26N6O.C22H23N5O/c35-19-20-14-27-28-16-25(24-6-3-7-26(31-24)30-22-4-1-2-5-22)34(27)18-23(20)21-15-29-33(17-21)9-8-32-10-12-36-13-11-32;1-14-23(15(2)28-27-14)18-12-29-20(11-24-22(29)10-16(18)13-30)19-8-5-9-21(26-19)25-17-6-3-4-7-17;28-14-16-10-22-24-12-20(27(22)13-18(16)15-8-9-23-11-15)19-6-3-7-21(26-19)25-17-4-1-2-5-17/h3,6-7,14-18,22,35H,1-2,4-5,8-13,19H2,(H,30,31);5,8-12,17,30H,3-4,6-7,13H2,1-2H3,(H,25,26)(H,27,28);3,6-13,17,23,28H,1-2,4-5,14H2,(H,25,26).

What are the key properties of [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol?

[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 1263.57 g/mol, XLogP of 11.93, 18 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1H-pyrrol-3-yl)imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 164952665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).