1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H33F2N5O — CID 55949801

About 1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55949801) has the molecular formula C27H33F2N5O and a molecular weight of 481.59 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55949801
• Molecular Formula: C27H33F2N5O
• Molecular Weight: 481.59 g/mol
• Exact Mass: 481.27
• IUPAC Name: 1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)c12
• InChI: InChI=1S/C27H33F2N5O/c1-16-24-20(14-23(18-6-7-18)31-25(24)34(32-16)27(2,3)4)26(35)30-19-9-11-33(12-10-19)15-17-5-8-21(28)22(29)13-17/h5,8,13-14,18-19H,6-7,9-12,15H2,1-4H3,(H,30,35)
• InChIKey: VIJFZKLZFNQFPU-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.59
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55949801) is 1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)c12.

What is the InChIKey of 1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is VIJFZKLZFNQFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N5O/c1-16-24-20(14-23(18-6-7-18)31-25(24)34(32-16)27(2,3)4)26(35)30-19-9-11-33(12-10-19)15-17-5-8-21(28)22(29)13-17/h5,8,13-14,18-19H,6-7,9-12,15H2,1-4H3,(H,30,35).

What are the key properties of 1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?

1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 481.59 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55949801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).