N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide

C26H33N5O — CID 46378584

IUPACN-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NC3CCCCCC3)CC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C26H33N5O/c1-19-17-25(31-24(27-19)18-23(29-31)20-9-5-4-6-10-20)30-15-13-21(14-16-30)26(32)28-22-11-7-2-3-8-12-22/h4-6,9-10,17-18,21-22H,2-3,7-8,11-16H2,1H3,(H,28,32)
InChIKeyTYOFHYVDYCAAMA-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.76
Rot. Bonds4

About N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide

N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide (PubChem CID 46378584) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
PubChem CID46378584
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC NameN-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NC3CCCCCC3)CC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C26H33N5O/c1-19-17-25(31-24(27-19)18-23(29-31)20-9-5-4-6-10-20)30-15-13-21(14-16-30)26(32)28-22-11-7-2-3-8-12-22/h4-6,9-10,17-18,21-22H,2-3,7-8,11-16H2,1H3,(H,28,32)
InChIKeyTYOFHYVDYCAAMA-UHFFFAOYSA-N
XLogP4.76
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide
CID 50822054
N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 50822103
1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 92880391
N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50822081
1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46378460
N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378549
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 50821742
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 50821798
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50821949
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46378481
N-(3,4-dimethylphenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378447
N-(3-chloro-2-methylphenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378443

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide (CID 46378584) is N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)NC3CCCCCC3)CC2)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide?
The InChIKey is TYOFHYVDYCAAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-19-17-25(31-24(27-19)18-23(29-31)20-9-5-4-6-10-20)30-15-13-21(14-16-30)26(32)28-22-11-7-2-3-8-12-22/h4-6,9-10,17-18,21-22H,2-3,7-8,11-16H2,1H3,(H,28,32).
What are the key properties of N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide?
N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46378584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).