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

C24H22N8O3 — CID 70497171

IUPACN-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C#N)cc1-c1nn(CC(=O)NC2CCC2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C24H22N8O3/c1-35-20-7-6-15(11-25)10-17(20)22-19(13-31(30-22)14-21(33)28-16-4-2-5-16)29-24(34)18-12-27-32-9-3-8-26-23(18)32/h3,6-10,12-13,16H,2,4-5,14H2,1H3,(H,28,33)(H,29,34)
InChIKeyJNQCXFMEGDGMMB-UHFFFAOYSA-N
MW470.49 g/mol
LogP2.39
Rot. Bonds7

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

N-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70497171) has the molecular formula C24H22N8O3 and a molecular weight of 470.49 g/mol. Its IUPAC name is N-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70497171
Molecular FormulaC24H22N8O3
Molecular Weight470.49 g/mol
Exact Mass470.18
IUPAC NameN-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C#N)cc1-c1nn(CC(=O)NC2CCC2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C24H22N8O3/c1-35-20-7-6-15(11-25)10-17(20)22-19(13-31(30-22)14-21(33)28-16-4-2-5-16)29-24(34)18-12-27-32-9-3-8-26-23(18)32/h3,6-10,12-13,16H,2,4-5,14H2,1H3,(H,28,33)(H,29,34)
InChIKeyJNQCXFMEGDGMMB-UHFFFAOYSA-N
XLogP2.39
TPSA139.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496975
N-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496697
N-[3-(5-cyano-2-methoxyphenyl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66851644
N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497456
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyanoamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 88710033
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-(cyclobutylamino)-1-fluoro-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496682
2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495976
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495636
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-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496643
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70497171) is N-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C#N)cc1-c1nn(CC(=O)NC2CCC2)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JNQCXFMEGDGMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O3/c1-35-20-7-6-15(11-25)10-17(20)22-19(13-31(30-22)14-21(33)28-16-4-2-5-16)29-24(34)18-12-27-32-9-3-8-26-23(18)32/h3,6-10,12-13,16H,2,4-5,14H2,1H3,(H,28,33)(H,29,34).
What are the key properties of N-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 470.49 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70497171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).