2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C27H22N6O2S — CID 137277239

IUPAC2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3cnccc3c2)C(c2cnc(-c3ccccc3)s2)n2nc(CO)cc2N1
InChIInChI=1S/C27H22N6O2S/c1-16-24(26(35)31-20-8-7-19-13-28-10-9-18(19)11-20)25(33-23(30-16)12-21(15-34)32-33)22-14-29-27(36-22)17-5-3-2-4-6-17/h2-14,25,30,34H,15H2,1H3,(H,31,35)
InChIKeyFGVRCWQOFBDWDR-UHFFFAOYSA-N
MW494.58 g/mol
LogP4.97
Rot. Bonds5

About 2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 137277239) has the molecular formula C27H22N6O2S and a molecular weight of 494.58 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID137277239
Molecular FormulaC27H22N6O2S
Molecular Weight494.58 g/mol
Exact Mass494.15
IUPAC Name2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3cnccc3c2)C(c2cnc(-c3ccccc3)s2)n2nc(CO)cc2N1
InChIInChI=1S/C27H22N6O2S/c1-16-24(26(35)31-20-8-7-19-13-28-10-9-18(19)11-20)25(33-23(30-16)12-21(15-34)32-33)22-14-29-27(36-22)17-5-3-2-4-6-17/h2-14,25,30,34H,15H2,1H3,(H,31,35)
InChIKeyFGVRCWQOFBDWDR-UHFFFAOYSA-N
XLogP4.97
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(hydroxymethyl)-N-isoquinolin-6-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 137277207
(7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 137277134
ethyl 7-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(isoquinolin-6-ylcarbamoyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 137277267
7-[3-fluoro-4-(trifluoromethyl)phenyl]-N-isoquinolin-6-yl-5-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 137277175
7-[3-fluoro-4-(trifluoromethyl)phenyl]-6-N-isoquinolin-6-yl-5-methyl-2-N-(2-piperidin-1-ylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-2,6-dicarboxamide
CID 137277178
7-[3-fluoro-4-(trifluoromethyl)phenyl]-6-N-isoquinolin-6-yl-2-N,5-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-2,6-dicarboxamide
CID 137277130
(7S)-N-(4-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 992435
2-(aminomethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 137277102
N-(4-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4068111
2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135594326
5-methyl-N,2-diphenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4116212
ethyl 4-[[(7S)-5-methyl-2-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino]benzoate
CID 1184041

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 137277239) is 2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc3cnccc3c2)C(c2cnc(-c3ccccc3)s2)n2nc(CO)cc2N1.
What is the InChIKey of 2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FGVRCWQOFBDWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2S/c1-16-24(26(35)31-20-8-7-19-13-28-10-9-18(19)11-20)25(33-23(30-16)12-21(15-34)32-33)22-14-29-27(36-22)17-5-3-2-4-6-17/h2-14,25,30,34H,15H2,1H3,(H,31,35).
What are the key properties of 2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 494.58 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 137277239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).