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

C18H24N4OS — CID 66856835

IUPAC4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn2c(c1-c1nc(C3CCCCC3)c(C(N)=O)s1)CCCC2
InChIInChI=1S/C18H24N4OS/c1-11-14(13-9-5-6-10-22(13)21-11)18-20-15(16(24-18)17(19)23)12-7-3-2-4-8-12/h12H,2-10H2,1H3,(H2,19,23)
InChIKeyPHLRMYTWSFFURC-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.80
Rot. Bonds3

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

4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 66856835) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID66856835
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn2c(c1-c1nc(C3CCCCC3)c(C(N)=O)s1)CCCC2
InChIInChI=1S/C18H24N4OS/c1-11-14(13-9-5-6-10-22(13)21-11)18-20-15(16(24-18)17(19)23)12-7-3-2-4-8-12/h12H,2-10H2,1H3,(H2,19,23)
InChIKeyPHLRMYTWSFFURC-UHFFFAOYSA-N
XLogP3.80
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide (CID 66856835) is 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide is Cc1nn2c(c1-c1nc(C3CCCCC3)c(C(N)=O)s1)CCCC2.
What is the InChIKey of 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is PHLRMYTWSFFURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-11-14(13-9-5-6-10-22(13)21-11)18-20-15(16(24-18)17(19)23)12-7-3-2-4-8-12/h12H,2-10H2,1H3,(H2,19,23).
What are the key properties of 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66856835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).