N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H25ClN8O3 — CID 70497374

IUPACN-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(C)CC2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C24H25ClN8O3/c1-30-8-10-31(11-9-30)21(34)15-32-14-19(22(29-32)17-12-16(25)4-5-20(17)36-2)28-24(35)18-13-27-33-7-3-6-26-23(18)33/h3-7,12-14H,8-11,15H2,1-2H3,(H,28,35)
InChIKeyUDZRNRYQOOKRPH-UHFFFAOYSA-N
MW508.97 g/mol
LogP2.28
Rot. Bonds6

About N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70497374) has the molecular formula C24H25ClN8O3 and a molecular weight of 508.97 g/mol. Its IUPAC name is N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70497374
Molecular FormulaC24H25ClN8O3
Molecular Weight508.97 g/mol
Exact Mass508.17
IUPAC NameN-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(C)CC2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C24H25ClN8O3/c1-30-8-10-31(11-9-30)21(34)15-32-14-19(22(29-32)17-12-16(25)4-5-20(17)36-2)28-24(35)18-13-27-33-7-3-6-26-23(18)33/h3-7,12-14H,8-11,15H2,1-2H3,(H,28,35)
InChIKeyUDZRNRYQOOKRPH-UHFFFAOYSA-N
XLogP2.28
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.97
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66879664
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497937
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496991
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522721
N-[3-(5-chloro-2-methoxyphenyl)-1-(2-oxoethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154961995
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyanoamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 88710033
tert-butyl N-[(3S)-1-[2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]pyrrolidin-3-yl]carbamate
CID 70497552
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522419
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495851
N-[3-(5-chloro-2-methoxyphenyl)-1-[(2R)-2,3-dihydroxy-3-methylbutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495965
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144963060
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopropanecarbonylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497231

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70497374) is N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCN(C)CC2)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UDZRNRYQOOKRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN8O3/c1-30-8-10-31(11-9-30)21(34)15-32-14-19(22(29-32)17-12-16(25)4-5-20(17)36-2)28-24(35)18-13-27-33-7-3-6-26-23(18)33/h3-7,12-14H,8-11,15H2,1-2H3,(H,28,35).
What are the key properties of N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 508.97 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70497374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).