N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H29N7O4S — CID 67541391

About N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67541391) has the molecular formula C27H29N7O4S and a molecular weight of 547.64 g/mol. Its IUPAC name is N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 67541391
• Molecular Formula: C27H29N7O4S
• Molecular Weight: 547.64 g/mol
• Exact Mass: 547.20
• IUPAC Name: N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cccnc3C)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12
• InChI: InChI=1S/C27H29N7O4S/c1-3-39(37,38)32-26(35)21-17-30-34-24(21)29-16-22(25(34)31-23-10-7-13-28-18(23)2)27(36)33-14-11-20(12-15-33)19-8-5-4-6-9-19/h4-10,13,16-17,20,31H,3,11-12,14-15H2,1-2H3,(H,32,35)
• InChIKey: HWDMNSOTAOXMTK-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 138.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.64
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67541391) is N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cccnc3C)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12.

What is the InChIKey of N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is HWDMNSOTAOXMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O4S/c1-3-39(37,38)32-26(35)21-17-30-34-24(21)29-16-22(25(34)31-23-10-7-13-28-18(23)2)27(36)33-14-11-20(12-15-33)19-8-5-4-6-9-19/h4-10,13,16-17,20,31H,3,11-12,14-15H2,1-2H3,(H,32,35).

What are the key properties of N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 547.64 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67541391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).