N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H29N5O2 — CID 41214495

About N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 41214495) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 41214495
• Molecular Formula: C26H29N5O2
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.23
• IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cc(-c3ccccc3)nc21
• InChI: InChI=1S/C26H29N5O2/c1-18(2)31-25-21(16-28-31)20(15-22(29-25)19-9-4-3-5-10-19)26(32)27-17-23(24-11-8-14-33-24)30-12-6-7-13-30/h3-5,8-11,14-16,18,23H,6-7,12-13,17H2,1-2H3,(H,27,32)/t23-/m0/s1
• InChIKey: BYLYWOKLAASVJQ-QHCPKHFHSA-N
• XLogP: 4.84
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 41214495) is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cc(-c3ccccc3)nc21.

What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is BYLYWOKLAASVJQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-18(2)31-25-21(16-28-31)20(15-22(29-25)19-9-4-3-5-10-19)26(32)27-17-23(24-11-8-14-33-24)30-12-6-7-13-30/h3-5,8-11,14-16,18,23H,6-7,12-13,17H2,1-2H3,(H,27,32)/t23-/m0/s1.

What are the key properties of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 41214495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).