6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C25H31N7O3 — CID 118206967

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206967) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 118206967
• Molecular Formula: C25H31N7O3
• Molecular Weight: 477.57 g/mol
• Exact Mass: 477.25
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
• SMILES: CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)NCCC1(O)CCC(C)(O)CC1
• InChI: InChI=1S/C25H31N7O3/c1-16(2)31-20-11-21(32-22-18(14-30-32)10-17(12-26)13-29-22)28-15-19(20)23(33)27-9-8-25(35)6-4-24(3,34)5-7-25/h10-11,13-16,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,31)
• InChIKey: KRQLCXPRHUFIQM-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 148.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.57
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?

The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206967) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?

The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)NCCC1(O)CCC(C)(O)CC1.

What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?

The InChIKey is KRQLCXPRHUFIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-16(2)31-20-11-21(32-22-18(14-30-32)10-17(12-26)13-29-22)28-15-19(20)23(33)27-9-8-25(35)6-4-24(3,34)5-7-25/h10-11,13-16,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,31).

What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 2.68, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).