2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide

C24H27ClN10O — CID 154640392

About 2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide

2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide (PubChem CID 154640392) has the molecular formula C24H27ClN10O and a molecular weight of 507.00 g/mol. Its IUPAC name is 2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide
• PubChem CID: 154640392
• Molecular Formula: C24H27ClN10O
• Molecular Weight: 507.00 g/mol
• Exact Mass: 506.21
• IUPAC Name: 2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC(NC(=O)Cc3ccc(-n4cc(Cl)cn4)nc3)CC2)n1
• InChI: InChI=1S/C24H27ClN10O/c1-15-9-20(30-21-10-16(2)32-33-21)31-24(28-15)34-7-5-19(6-8-34)29-23(36)11-17-3-4-22(26-12-17)35-14-18(25)13-27-35/h3-4,9-10,12-14,19H,5-8,11H2,1-2H3,(H,29,36)(H2,28,30,31,32,33)
• InChIKey: SXKZVYTZUVJVKB-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 129.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.00
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide?

The IUPAC name of 2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide (CID 154640392) is 2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide.

What is the SMILES notation for 2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide?

The canonical SMILES for 2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC(NC(=O)Cc3ccc(-n4cc(Cl)cn4)nc3)CC2)n1.

What is the InChIKey of 2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide?

The InChIKey is SXKZVYTZUVJVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN10O/c1-15-9-20(30-21-10-16(2)32-33-21)31-24(28-15)34-7-5-19(6-8-34)29-23(36)11-17-3-4-22(26-12-17)35-14-18(25)13-27-35/h3-4,9-10,12-14,19H,5-8,11H2,1-2H3,(H,29,36)(H2,28,30,31,32,33).

What are the key properties of 2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide?

2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide has a molecular weight of 507.00 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 154640392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).