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

C25H29N9O2 — CID 134192967

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

(3R,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 134192967) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is (3R,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: (3R,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
• PubChem CID: 134192967
• Molecular Formula: C25H29N9O2
• Molecular Weight: 487.57 g/mol
• Exact Mass: 487.24
• IUPAC Name: (3R,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc(N2CC[C@H](C(=O)NCc3ccc(-n4cccn4)nc3)[C@@H](O)C2)c1
• InChI: InChI=1S/C25H29N9O2/c1-16-10-21(29-22-12-17(2)31-32-22)30-24(11-16)33-9-6-19(20(35)15-33)25(36)27-14-18-4-5-23(26-13-18)34-8-3-7-28-34/h3-5,7-8,10-13,19-20,35H,6,9,14-15H2,1-2H3,(H,27,36)(H2,29,30,31,32)/t19-,20-/m0/s1
• InChIKey: ZDQFTCFMXUYQHS-PMACEKPBSA-N
• XLogP: 2.25
• TPSA: 136.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.57
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (3R,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide (CID 134192967) is (3R,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide.

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

The canonical SMILES for (3R,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CC[C@H](C(=O)NCc3ccc(-n4cccn4)nc3)[C@@H](O)C2)c1.

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

The InChIKey is ZDQFTCFMXUYQHS-PMACEKPBSA-N. The full InChI is InChI=1S/C25H29N9O2/c1-16-10-21(29-22-12-17(2)31-32-22)30-24(11-16)33-9-6-19(20(35)15-33)25(36)27-14-18-4-5-23(26-13-18)34-8-3-7-28-34/h3-5,7-8,10-13,19-20,35H,6,9,14-15H2,1-2H3,(H,27,36)(H2,29,30,31,32)/t19-,20-/m0/s1.

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

(3R,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 487.57 g/mol, XLogP of 2.25, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 134192967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).