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

C26H23N7O3 — CID 175938229

IUPAC5-(1,3-dihydroisoindol-2-yl)-3-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cc(OC)cc(-c2c(C(N)=O)nn3c(-c4cn[nH]c4)cc(N4Cc5ccccc5C4)nc23)c1
InChIInChI=1S/C26H23N7O3/c1-35-19-7-17(8-20(9-19)36-2)23-24(25(27)34)31-33-21(18-11-28-29-12-18)10-22(30-26(23)33)32-13-15-5-3-4-6-16(15)14-32/h3-12H,13-14H2,1-2H3,(H2,27,34)(H,28,29)
InChIKeyJHHSYXVBAXQTDP-UHFFFAOYSA-N
MW481.52 g/mol
LogP3.42
Rot. Bonds6

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

5-(1,3-dihydroisoindol-2-yl)-3-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 175938229) has the molecular formula C26H23N7O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is 5-(1,3-dihydroisoindol-2-yl)-3-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-dihydroisoindol-2-yl)-3-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID175938229
Molecular FormulaC26H23N7O3
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC Name5-(1,3-dihydroisoindol-2-yl)-3-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cc(OC)cc(-c2c(C(N)=O)nn3c(-c4cn[nH]c4)cc(N4Cc5ccccc5C4)nc23)c1
InChIInChI=1S/C26H23N7O3/c1-35-19-7-17(8-20(9-19)36-2)23-24(25(27)34)31-33-21(18-11-28-29-12-18)10-22(30-26(23)33)32-13-15-5-3-4-6-16(15)14-32/h3-12H,13-14H2,1-2H3,(H2,27,34)(H,28,29)
InChIKeyJHHSYXVBAXQTDP-UHFFFAOYSA-N
XLogP3.42
TPSA123.66 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 ≤ 53.42
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)-3-(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)-3-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 175938229) is 5-(1,3-dihydroisoindol-2-yl)-3-(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)-3-(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)-3-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1cc(OC)cc(-c2c(C(N)=O)nn3c(-c4cn[nH]c4)cc(N4Cc5ccccc5C4)nc23)c1.
What is the InChIKey of 5-(1,3-dihydroisoindol-2-yl)-3-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JHHSYXVBAXQTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O3/c1-35-19-7-17(8-20(9-19)36-2)23-24(25(27)34)31-33-21(18-11-28-29-12-18)10-22(30-26(23)33)32-13-15-5-3-4-6-16(15)14-32/h3-12H,13-14H2,1-2H3,(H2,27,34)(H,28,29).
What are the key properties of 5-(1,3-dihydroisoindol-2-yl)-3-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(1,3-dihydroisoindol-2-yl)-3-(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 3.42, 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)-3-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 175938229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).