[1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate

C53H61F7N18O3 — CID 161204057

About [1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate

[1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate (PubChem CID 161204057) has the molecular formula C53H61F7N18O3 and a molecular weight of 1131.18 g/mol. Its IUPAC name is [1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate.

Molecular Properties

• Compound Name: [1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate
• PubChem CID: 161204057
• Molecular Formula: C53H61F7N18O3
• Molecular Weight: 1131.18 g/mol
• Exact Mass: 1130.51
• IUPAC Name: [1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate
• SMILES: CCOC(=O)c1ccn(-c2cc3c(ncn3C)c(NC3CCC(F)(F)CC3)n2)n1.Cn1cnc2c(NC3CCC(F)(F)CC3)nc(-n3ccc(CF)n3)cc21.Cn1cnc2c(NC3CCC(F)(F)CC3)nc(-n3ccc(CO)n3)cc21
• InChI: InChI=1S/C19H22F2N6O2.C17H19F3N6.C17H20F2N6O/c1-3-29-18(28)13-6-9-27(25-13)15-10-14-16(22-11-26(14)2)17(24-15)23-12-4-7-19(20,21)8-5-12;1-25-10-21-15-13(25)8-14(26-7-4-12(9-18)24-26)23-16(15)22-11-2-5-17(19,20)6-3-11;1-24-10-20-15-13(24)8-14(25-7-4-12(9-26)23-25)22-16(15)21-11-2-5-17(18,19)6-3-11/h6,9-12H,3-5,7-8H2,1-2H3,(H,23,24);4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,22,23);4,7-8,10-11,26H,2-3,5-6,9H2,1H3,(H,21,22)
• InChIKey: UVJCAHNMODCPBD-UHFFFAOYSA-N
• XLogP: 9.57
• TPSA: 228.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1131.18
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate?

The IUPAC name of [1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate (CID 161204057) is [1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate.

What is the SMILES notation for [1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate?

The canonical SMILES for [1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate is CCOC(=O)c1ccn(-c2cc3c(ncn3C)c(NC3CCC(F)(F)CC3)n2)n1.Cn1cnc2c(NC3CCC(F)(F)CC3)nc(-n3ccc(CF)n3)cc21.Cn1cnc2c(NC3CCC(F)(F)CC3)nc(-n3ccc(CO)n3)cc21.

What is the InChIKey of [1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate?

The InChIKey is UVJCAHNMODCPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O2.C17H19F3N6.C17H20F2N6O/c1-3-29-18(28)13-6-9-27(25-13)15-10-14-16(22-11-26(14)2)17(24-15)23-12-4-7-19(20,21)8-5-12;1-25-10-21-15-13(25)8-14(26-7-4-12(9-18)24-26)23-16(15)22-11-2-5-17(19,20)6-3-11;1-24-10-20-15-13(24)8-14(25-7-4-12(9-26)23-25)22-16(15)21-11-2-5-17(18,19)6-3-11/h6,9-12H,3-5,7-8H2,1-2H3,(H,23,24);4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,22,23);4,7-8,10-11,26H,2-3,5-6,9H2,1H3,(H,21,22).

What are the key properties of [1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate?

[1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate has a molecular weight of 1131.18 g/mol, XLogP of 9.57, 13 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-1-methylimidazo[4,5-c]pyridin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate is sourced from PubChem (CID 161204057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).