7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H34N6O4S — CID 67541255

IUPAC7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cnn2c(NCC3CCCCC3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12
InChIInChI=1S/C27H34N6O4S/c1-38(36,37)31-26(34)22-18-30-33-24(22)29-17-23(25(33)28-16-19-8-4-2-5-9-19)27(35)32-14-12-21(13-15-32)20-10-6-3-7-11-20/h3,6-7,10-11,17-19,21,28H,2,4-5,8-9,12-16H2,1H3,(H,31,34)
InChIKeyAZJUAMLOEZCLPT-UHFFFAOYSA-N
MW538.67 g/mol
LogP3.43
Rot. Bonds7

About 7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67541255) has the molecular formula C27H34N6O4S and a molecular weight of 538.67 g/mol. Its IUPAC name is 7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67541255
Molecular FormulaC27H34N6O4S
Molecular Weight538.67 g/mol
Exact Mass538.24
IUPAC Name7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cnn2c(NCC3CCCCC3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12
InChIInChI=1S/C27H34N6O4S/c1-38(36,37)31-26(34)22-18-30-33-24(22)29-17-23(25(33)28-16-19-8-4-2-5-9-19)27(35)32-14-12-21(13-15-32)20-10-6-3-7-11-20/h3,6-7,10-11,17-19,21,28H,2,4-5,8-9,12-16H2,1H3,(H,31,34)
InChIKeyAZJUAMLOEZCLPT-UHFFFAOYSA-N
XLogP3.43
TPSA125.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-(benzylamino)-6-[4-(3-methylphenyl)piperidine-1-carbonyl]-N-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67541337
7-(benzylamino)-6-[4-(2-methylphenyl)piperidine-1-carbonyl]-N-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67540592
N-[2-[7-(benzylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]phenyl]methanesulfonamide
CID 67539991
N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67541391
7-(2-methylanilino)-6-(4-phenylpiperidine-1-carbonyl)-N-(2,2,2-trifluoroethylsulfonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67541359
N-[7-(benzylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylcyclopropanecarboxamide
CID 90312638
7-(2-phenylmethoxyanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67540386
methyl N-[7-(2-chloroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylcarbamate
CID 71178953
ethyl 7-(2-fluoro-3-methylanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 67539869
N-ethylsulfonyl-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]-7-(3-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67540620
7-(1H-indol-6-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67540852
[3-bromo-7-(2-chloro-3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone
CID 67540868

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67541255) is 7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CS(=O)(=O)NC(=O)c1cnn2c(NCC3CCCCC3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12.
What is the InChIKey of 7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AZJUAMLOEZCLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4S/c1-38(36,37)31-26(34)22-18-30-33-24(22)29-17-23(25(33)28-16-19-8-4-2-5-9-19)27(35)32-14-12-21(13-15-32)20-10-6-3-7-11-20/h3,6-7,10-11,17-19,21,28H,2,4-5,8-9,12-16H2,1H3,(H,31,34).
What are the key properties of 7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 538.67 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethylamino)-N-methylsulfonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67541255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).