3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C28H25N7O2 — CID 162686149

IUPAC3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2nn3c(-c4cn[nH]c4)cc(N4Cc5ccccc5C4)nc3c2C2CC2)c1
InChIInChI=1S/C28H25N7O2/c1-37-22-8-4-7-21(11-22)31-28(36)26-25(17-9-10-17)27-32-24(34-15-18-5-2-3-6-19(18)16-34)12-23(35(27)33-26)20-13-29-30-14-20/h2-8,11-14,17H,9-10,15-16H2,1H3,(H,29,30)(H,31,36)
InChIKeyJRPYNHVAOUIJEC-UHFFFAOYSA-N
MW491.56 g/mol
LogP4.78
Rot. Bonds6

About 3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 162686149) has the molecular formula C28H25N7O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is 3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID162686149
Molecular FormulaC28H25N7O2
Molecular Weight491.56 g/mol
Exact Mass491.21
IUPAC Name3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2nn3c(-c4cn[nH]c4)cc(N4Cc5ccccc5C4)nc3c2C2CC2)c1
InChIInChI=1S/C28H25N7O2/c1-37-22-8-4-7-21(11-22)31-28(36)26-25(17-9-10-17)27-32-24(34-15-18-5-2-3-6-19(18)16-34)12-23(35(27)33-26)20-13-29-30-14-20/h2-8,11-14,17H,9-10,15-16H2,1H3,(H,29,30)(H,31,36)
InChIKeyJRPYNHVAOUIJEC-UHFFFAOYSA-N
XLogP4.78
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 162686149) is 3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1cccc(NC(=O)c2nn3c(-c4cn[nH]c4)cc(N4Cc5ccccc5C4)nc3c2C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JRPYNHVAOUIJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O2/c1-37-22-8-4-7-21(11-22)31-28(36)26-25(17-9-10-17)27-32-24(34-15-18-5-2-3-6-19(18)16-34)12-23(35(27)33-26)20-13-29-30-14-20/h2-8,11-14,17H,9-10,15-16H2,1H3,(H,29,30)(H,31,36).
What are the key properties of 3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 491.56 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 162686149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).