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

C26H23N7O3 — CID 162686089

IUPAC5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3nc(N4Cc5ccccc5C4)cc(-c4cn[nH]c4)n3n2)cc(OC)c1
InChIInChI=1S/C26H23N7O3/c1-35-20-7-19(8-21(9-20)36-2)29-26(34)22-10-25-30-24(32-14-16-5-3-4-6-17(16)15-32)11-23(33(25)31-22)18-12-27-28-13-18/h3-13H,14-15H2,1-2H3,(H,27,28)(H,29,34)
InChIKeyDLWRFKNBQCCLFZ-UHFFFAOYSA-N
MW481.52 g/mol
LogP3.91
Rot. Bonds6

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

5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 162686089) has the molecular formula C26H23N7O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is 5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID162686089
Molecular FormulaC26H23N7O3
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC Name5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3nc(N4Cc5ccccc5C4)cc(-c4cn[nH]c4)n3n2)cc(OC)c1
InChIInChI=1S/C26H23N7O3/c1-35-20-7-19(8-21(9-20)36-2)29-26(34)22-10-25-30-24(32-14-16-5-3-4-6-17(16)15-32)11-23(33(25)31-22)18-12-27-28-13-18/h3-13H,14-15H2,1-2H3,(H,27,28)(H,29,34)
InChIKeyDLWRFKNBQCCLFZ-UHFFFAOYSA-N
XLogP3.91
TPSA109.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 162686089) is 5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1cc(NC(=O)c2cc3nc(N4Cc5ccccc5C4)cc(-c4cn[nH]c4)n3n2)cc(OC)c1.
What is the InChIKey of 5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DLWRFKNBQCCLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O3/c1-35-20-7-19(8-21(9-20)36-2)29-26(34)22-10-25-30-24(32-14-16-5-3-4-6-17(16)15-32)11-23(33(25)31-22)18-12-27-28-13-18/h3-13H,14-15H2,1-2H3,(H,27,28)(H,29,34).
What are the key properties of 5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 162686089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).