N-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide

C18H20N6OS — CID 165130015

IUPACN-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(C2CCC2)c1)c1csc(-c2cnn3c2CCCC3)n1
InChIInChI=1S/C18H20N6OS/c25-17(21-12-8-19-24(10-12)13-4-3-5-13)15-11-26-18(22-15)14-9-20-23-7-2-1-6-16(14)23/h8-11,13H,1-7H2,(H,21,25)
InChIKeyZQXXQBOCFROYNC-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.52
Rot. Bonds4

About N-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide

N-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165130015) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID165130015
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(C2CCC2)c1)c1csc(-c2cnn3c2CCCC3)n1
InChIInChI=1S/C18H20N6OS/c25-17(21-12-8-19-24(10-12)13-4-3-5-13)15-11-26-18(22-15)14-9-20-23-7-2-1-6-16(14)23/h8-11,13H,1-7H2,(H,21,25)
InChIKeyZQXXQBOCFROYNC-UHFFFAOYSA-N
XLogP3.52
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide (CID 165130015) is N-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnn(C2CCC2)c1)c1csc(-c2cnn3c2CCCC3)n1.
What is the InChIKey of N-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZQXXQBOCFROYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-17(21-12-8-19-24(10-12)13-4-3-5-13)15-11-26-18(22-15)14-9-20-23-7-2-1-6-16(14)23/h8-11,13H,1-7H2,(H,21,25).
What are the key properties of N-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
N-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpyrazol-4-yl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165130015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).