N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H18N6OS — CID 166264216

IUPACN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(NC(=O)c2cnn3c(-c4cccnc4)ccnc23)sc1Cc1ccccc1
InChIInChI=1S/C23H18N6OS/c1-15-20(12-16-6-3-2-4-7-16)31-23(27-15)28-22(30)18-14-26-29-19(9-11-25-21(18)29)17-8-5-10-24-13-17/h2-11,13-14H,12H2,1H3,(H,27,28,30)
InChIKeyRWZQIMBXYODYNX-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.40
Rot. Bonds5

About N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166264216) has the molecular formula C23H18N6OS and a molecular weight of 426.51 g/mol. Its IUPAC name is N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166264216
Molecular FormulaC23H18N6OS
Molecular Weight426.51 g/mol
Exact Mass426.13
IUPAC NameN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(NC(=O)c2cnn3c(-c4cccnc4)ccnc23)sc1Cc1ccccc1
InChIInChI=1S/C23H18N6OS/c1-15-20(12-16-6-3-2-4-7-16)31-23(27-15)28-22(30)18-14-26-29-19(9-11-25-21(18)29)17-8-5-10-24-13-17/h2-11,13-14H,12H2,1H3,(H,27,28,30)
InChIKeyRWZQIMBXYODYNX-UHFFFAOYSA-N
XLogP4.40
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166186967
5,7-dimethyl-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166189227
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
N,N-diethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166249777
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 43836729
N-[3-(2-methoxyethoxy)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55959199
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
N-(2-cyclopropyl-2-hydroxypropyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126830270
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 43836603
6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166195009
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166264216) is N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc(NC(=O)c2cnn3c(-c4cccnc4)ccnc23)sc1Cc1ccccc1.
What is the InChIKey of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RWZQIMBXYODYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6OS/c1-15-20(12-16-6-3-2-4-7-16)31-23(27-15)28-22(30)18-14-26-29-19(9-11-25-21(18)29)17-8-5-10-24-13-17/h2-11,13-14H,12H2,1H3,(H,27,28,30).
What are the key properties of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166264216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).