N-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide

C18H17ClF3N5OS — CID 67352066

IUPACN-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide
SMILESNC1CCCC[C@@H]1NC(=O)c1nc(-c2cnn3cc(C(F)(F)F)ccc23)c(Cl)s1
InChIInChI=1S/C18H17ClF3N5OS/c19-15-14(10-7-24-27-8-9(18(20,21)22)5-6-13(10)27)26-17(29-15)16(28)25-12-4-2-1-3-11(12)23/h5-8,11-12H,1-4,23H2,(H,25,28)/t11?,12-/m0/s1
InChIKeyZOROOQYVKPOTHP-KIYNQFGBSA-N
MW443.88 g/mol
LogP4.13
Rot. Bonds3

About N-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide

N-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide (PubChem CID 67352066) has the molecular formula C18H17ClF3N5OS and a molecular weight of 443.88 g/mol. Its IUPAC name is N-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide
PubChem CID67352066
Molecular FormulaC18H17ClF3N5OS
Molecular Weight443.88 g/mol
Exact Mass443.08
IUPAC NameN-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide
SMILESNC1CCCC[C@@H]1NC(=O)c1nc(-c2cnn3cc(C(F)(F)F)ccc23)c(Cl)s1
InChIInChI=1S/C18H17ClF3N5OS/c19-15-14(10-7-24-27-8-9(18(20,21)22)5-6-13(10)27)26-17(29-15)16(28)25-12-4-2-1-3-11(12)23/h5-8,11-12H,1-4,23H2,(H,25,28)/t11?,12-/m0/s1
InChIKeyZOROOQYVKPOTHP-KIYNQFGBSA-N
XLogP4.13
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.88
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminocyclopentyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 76773123
N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(6-iodopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 75075568
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide
CID 67349719
N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 75075572
N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 44816673
N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 67353266
2-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-1-[5-chloro-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-2-yl]ethanone
CID 58385987
N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909182
4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide
CID 162586975
N-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide
CID 67375825
2-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-1-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)ethanone
CID 58385896
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58385870

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide (CID 67352066) is N-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide is NC1CCCC[C@@H]1NC(=O)c1nc(-c2cnn3cc(C(F)(F)F)ccc23)c(Cl)s1.
What is the InChIKey of N-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is ZOROOQYVKPOTHP-KIYNQFGBSA-N. The full InChI is InChI=1S/C18H17ClF3N5OS/c19-15-14(10-7-24-27-8-9(18(20,21)22)5-6-13(10)27)26-17(29-15)16(28)25-12-4-2-1-3-11(12)23/h5-8,11-12H,1-4,23H2,(H,25,28)/t11?,12-/m0/s1.
What are the key properties of N-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide?
N-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 443.88 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67352066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).