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

C27H29N9O2 — CID 118206647

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206647) has the molecular formula C27H29N9O2 and a molecular weight of 511.59 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 118206647
• Molecular Formula: C27H29N9O2
• Molecular Weight: 511.59 g/mol
• Exact Mass: 511.24
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
• SMILES: COC1CCN(c2ccc(NC(=O)c3cnc(-n4ncc5cc(C#N)cnc54)cc3NC(C)C)nc2)CC1
• InChI: InChI=1S/C27H29N9O2/c1-17(2)33-23-11-25(36-26-19(14-32-36)10-18(12-28)13-31-26)30-16-22(23)27(37)34-24-5-4-20(15-29-24)35-8-6-21(38-3)7-9-35/h4-5,10-11,13-17,21H,6-9H2,1-3H3,(H,30,33)(H,29,34,37)
• InChIKey: YNKVEYLLFYKWMV-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 133.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.59
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206647) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

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

The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is COC1CCN(c2ccc(NC(=O)c3cnc(-n4ncc5cc(C#N)cnc54)cc3NC(C)C)nc2)CC1.

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

The InChIKey is YNKVEYLLFYKWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N9O2/c1-17(2)33-23-11-25(36-26-19(14-32-36)10-18(12-28)13-31-26)30-16-22(23)27(37)34-24-5-4-20(15-29-24)35-8-6-21(38-3)7-9-35/h4-5,10-11,13-17,21H,6-9H2,1-3H3,(H,30,33)(H,29,34,37).

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 511.59 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).