N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C26H28N6OS — CID 56942499

About N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 56942499) has the molecular formula C26H28N6OS and a molecular weight of 472.62 g/mol. Its IUPAC name is N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 56942499
• Molecular Formula: C26H28N6OS
• Molecular Weight: 472.62 g/mol
• Exact Mass: 472.20
• IUPAC Name: N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: O=C(N[C@@H]1CCCN(Cc2csc3ccccc23)C1)N1CCc2[nH]nc(-c3ccncc3)c2C1
• InChI: InChI=1S/C26H28N6OS/c33-26(32-13-9-23-22(16-32)25(30-29-23)18-7-10-27-11-8-18)28-20-4-3-12-31(15-20)14-19-17-34-24-6-2-1-5-21(19)24/h1-2,5-8,10-11,17,20H,3-4,9,12-16H2,(H,28,33)(H,29,30)/t20-/m1/s1
• InChIKey: YUTGWZHGTFEJKN-HXUWFJFHSA-N
• XLogP: 4.42
• TPSA: 77.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.62
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 56942499) is N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(N[C@@H]1CCCN(Cc2csc3ccccc23)C1)N1CCc2[nH]nc(-c3ccncc3)c2C1.

What is the InChIKey of N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is YUTGWZHGTFEJKN-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H28N6OS/c33-26(32-13-9-23-22(16-32)25(30-29-23)18-7-10-27-11-8-18)28-20-4-3-12-31(15-20)14-19-17-34-24-6-2-1-5-21(19)24/h1-2,5-8,10-11,17,20H,3-4,9,12-16H2,(H,28,33)(H,29,30)/t20-/m1/s1.

What are the key properties of N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 472.62 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 56942499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).