N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C26H35N5O2 — CID 56552201

About N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 56552201) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 56552201
• Molecular Formula: C26H35N5O2
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.28
• IUPAC Name: N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)c1cc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c2cnn(C(C)C)c2n1
• InChI: InChI=1S/C26H35N5O2/c1-17(2)24-13-22(23-15-28-31(18(3)4)25(23)29-24)26(33)27-14-19-5-7-20(8-6-19)16-30-11-9-21(32)10-12-30/h5-8,13,15,17-18,21,32H,9-12,14,16H2,1-4H3,(H,27,33)
• InChIKey: NFWKBPOIMYHFEZ-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 83.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 56552201) is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c2cnn(C(C)C)c2n1.

What is the InChIKey of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is NFWKBPOIMYHFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-17(2)24-13-22(23-15-28-31(18(3)4)25(23)29-24)26(33)27-14-19-5-7-20(8-6-19)16-30-11-9-21(32)10-12-30/h5-8,13,15,17-18,21,32H,9-12,14,16H2,1-4H3,(H,27,33).

What are the key properties of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 56552201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).