N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H28N8O4S — CID 90272235

About N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90272235) has the molecular formula C28H28N8O4S and a molecular weight of 572.65 g/mol. Its IUPAC name is N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 90272235
• Molecular Formula: C28H28N8O4S
• Molecular Weight: 572.65 g/mol
• Exact Mass: 572.20
• IUPAC Name: N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2CCC(c3cc(NC(=O)c4cnn5cccnc45)n(-c4ccc(C)cc4)n3)CC2)cn1
• InChI: InChI=1S/C28H28N8O4S/c1-19-4-6-21(7-5-19)36-25(32-28(37)23-18-31-35-13-3-12-29-27(23)35)16-24(33-36)20-10-14-34(15-11-20)41(38,39)22-8-9-26(40-2)30-17-22/h3-9,12-13,16-18,20H,10-11,14-15H2,1-2H3,(H,32,37)
• InChIKey: OCJGCGZJFJPMRT-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 136.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.65
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90272235) is N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCC(c3cc(NC(=O)c4cnn5cccnc45)n(-c4ccc(C)cc4)n3)CC2)cn1.

What is the InChIKey of N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is OCJGCGZJFJPMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O4S/c1-19-4-6-21(7-5-19)36-25(32-28(37)23-18-31-35-13-3-12-29-27(23)35)16-24(33-36)20-10-14-34(15-11-20)41(38,39)22-8-9-26(40-2)30-17-22/h3-9,12-13,16-18,20H,10-11,14-15H2,1-2H3,(H,32,37).

What are the key properties of N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 572.65 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90272235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).