N-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H33N9O — CID 66557143

IUPACN-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(N3CCN(C4CCCCCC4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C27H33N9O/c1-20-9-10-23(29-18-20)36-24(31-27(37)22-19-30-35-12-6-11-28-26(22)35)17-25(32-36)34-15-13-33(14-16-34)21-7-4-2-3-5-8-21/h6,9-12,17-19,21H,2-5,7-8,13-16H2,1H3,(H,31,37)
InChIKeyMKNCWJFVAVJXBC-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.72
Rot. Bonds5

About N-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66557143) has the molecular formula C27H33N9O and a molecular weight of 499.62 g/mol. Its IUPAC name is N-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66557143
Molecular FormulaC27H33N9O
Molecular Weight499.62 g/mol
Exact Mass499.28
IUPAC NameN-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(N3CCN(C4CCCCCC4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C27H33N9O/c1-20-9-10-23(29-18-20)36-24(31-27(37)22-19-30-35-12-6-11-28-26(22)35)17-25(32-36)34-15-13-33(14-16-34)21-7-4-2-3-5-8-21/h6,9-12,17-19,21H,2-5,7-8,13-16H2,1H3,(H,31,37)
InChIKeyMKNCWJFVAVJXBC-UHFFFAOYSA-N
XLogP3.72
TPSA96.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66557143) is N-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(N3CCN(C4CCCCCC4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.
What is the InChIKey of N-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MKNCWJFVAVJXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N9O/c1-20-9-10-23(29-18-20)36-24(31-27(37)22-19-30-35-12-6-11-28-26(22)35)17-25(32-36)34-15-13-33(14-16-34)21-7-4-2-3-5-8-21/h6,9-12,17-19,21H,2-5,7-8,13-16H2,1H3,(H,31,37).
What are the key properties of N-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66557143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).