(3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide

C26H30N8O2 — CID 148683393

About (3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide

(3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 148683393) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is (3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: (3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
• PubChem CID: 148683393
• Molecular Formula: C26H30N8O2
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.25
• IUPAC Name: (3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
• SMILES: Cc1cc(Cc2cc(C)[nH]n2)nc(N2CC[C@H](C(=O)NCc3ccc(-n4cccn4)nc3)[C@H](O)C2)c1
• InChI: InChI=1S/C26H30N8O2/c1-17-10-20(13-21-12-18(2)31-32-21)30-25(11-17)33-9-6-22(23(35)16-33)26(36)28-15-19-4-5-24(27-14-19)34-8-3-7-29-34/h3-5,7-8,10-12,14,22-23,35H,6,9,13,15-16H2,1-2H3,(H,28,36)(H,31,32)/t22-,23+/m0/s1
• InChIKey: NSBCUNLDMBCDNV-XZOQPEGZSA-N
• XLogP: 2.10
• TPSA: 124.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?

The IUPAC name of (3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide (CID 148683393) is (3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for (3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?

The canonical SMILES for (3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide is Cc1cc(Cc2cc(C)[nH]n2)nc(N2CC[C@H](C(=O)NCc3ccc(-n4cccn4)nc3)[C@H](O)C2)c1.

What is the InChIKey of (3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?

The InChIKey is NSBCUNLDMBCDNV-XZOQPEGZSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-17-10-20(13-21-12-18(2)31-32-21)30-25(11-17)33-9-6-22(23(35)16-33)26(36)28-15-19-4-5-24(27-14-19)34-8-3-7-29-34/h3-5,7-8,10-12,14,22-23,35H,6,9,13,15-16H2,1-2H3,(H,28,36)(H,31,32)/t22-,23+/m0/s1.

What are the key properties of (3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?

(3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 148683393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).