5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide

C20H21N7O — CID 67458964

IUPAC5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide
SMILESN#CCC(C1CC1)n1cc(-c2nc(C(=O)NC3CCC3)cc3nccn23)cn1
InChIInChI=1S/C20H21N7O/c21-7-6-17(13-4-5-13)27-12-14(11-23-27)19-25-16(10-18-22-8-9-26(18)19)20(28)24-15-2-1-3-15/h8-13,15,17H,1-6H2,(H,24,28)
InChIKeyAJGWZILGGMTQSZ-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.74
Rot. Bonds6

About 5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide

5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide (PubChem CID 67458964) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide
PubChem CID67458964
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide
SMILESN#CCC(C1CC1)n1cc(-c2nc(C(=O)NC3CCC3)cc3nccn23)cn1
InChIInChI=1S/C20H21N7O/c21-7-6-17(13-4-5-13)27-12-14(11-23-27)19-25-16(10-18-22-8-9-26(18)19)20(28)24-15-2-1-3-15/h8-13,15,17H,1-6H2,(H,24,28)
InChIKeyAJGWZILGGMTQSZ-UHFFFAOYSA-N
XLogP2.74
TPSA100.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[7-[1-[cyclobutyl(methyl)amino]buta-1,3-dien-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-cyclopropylpropanenitrile
CID 123828512
3-cyclobutyl-3-[4-[2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 58014403
(3S)-3-cyclobutyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;phosphoric acid
CID 53372673
5-[1-(1-cyclopentylhept-3-ynyl)pyrazol-4-yl]-7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-c]pyrimidine
CID 123140347
4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 70649553
N-[4-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 58014455
3-cyclopentyl-3-(4-methylpyrazol-1-yl)propanenitrile
CID 67966087
3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
CID 58014581
3-cyclopentyl-3-[4-[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]anilino]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 58014585
4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138597587
but-2-enedioic acid;3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
CID 74388868
3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile
CID 67456894

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide?
The IUPAC name of 5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide (CID 67458964) is 5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide?
The canonical SMILES for 5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide is N#CCC(C1CC1)n1cc(-c2nc(C(=O)NC3CCC3)cc3nccn23)cn1.
What is the InChIKey of 5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide?
The InChIKey is AJGWZILGGMTQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c21-7-6-17(13-4-5-13)27-12-14(11-23-27)19-25-16(10-18-22-8-9-26(18)19)20(28)24-15-2-1-3-15/h8-13,15,17H,1-6H2,(H,24,28).
What are the key properties of 5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide?
5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide is sourced from PubChem (CID 67458964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).