N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

C18H19F2N5OS — CID 58385870

IUPACN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESCc1sc(C(=O)N[C@@H]2[C@@H](N)CCCC2(F)F)nc1-c1cnn2ccccc12
InChIInChI=1S/C18H19F2N5OS/c1-10-14(11-9-22-25-8-3-2-6-13(11)25)23-17(27-10)16(26)24-15-12(21)5-4-7-18(15,19)20/h2-3,6,8-9,12,15H,4-5,7,21H2,1H3,(H,24,26)/t12-,15+/m0/s1
InChIKeyHTSPSVAERHILAF-SWLSCSKDSA-N
MW391.45 g/mol
LogP3.01
Rot. Bonds3

About N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 58385870) has the molecular formula C18H19F2N5OS and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID58385870
Molecular FormulaC18H19F2N5OS
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC NameN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESCc1sc(C(=O)N[C@@H]2[C@@H](N)CCCC2(F)F)nc1-c1cnn2ccccc12
InChIInChI=1S/C18H19F2N5OS/c1-10-14(11-9-22-25-8-3-2-6-13(11)25)23-17(27-10)16(26)24-15-12(21)5-4-7-18(15,19)20/h2-3,6,8-9,12,15H,4-5,7,21H2,1H3,(H,24,26)/t12-,15+/m0/s1
InChIKeyHTSPSVAERHILAF-SWLSCSKDSA-N
XLogP3.01
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-prop-1-en-2-yl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58385932
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-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-(2-cyclopropylethynyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58385875
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-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide
CID 58386003
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-(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
tert-butyl N-[2-[(5-bromo-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carbonyl)amino]-3,3-difluorocyclohexyl]carbamate
CID 162559287
N-[(1R)-2,2-difluorocyclohexyl]-5-propan-2-yl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 143938761
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-(2-aminocyclopentyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 76773123
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide
CID 87367007

Frequently Asked Questions

What is the IUPAC name of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of 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) is N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is Cc1sc(C(=O)N[C@@H]2[C@@H](N)CCCC2(F)F)nc1-c1cnn2ccccc12.
What is the InChIKey of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is HTSPSVAERHILAF-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H19F2N5OS/c1-10-14(11-9-22-25-8-3-2-6-13(11)25)23-17(27-10)16(26)24-15-12(21)5-4-7-18(15,19)20/h2-3,6,8-9,12,15H,4-5,7,21H2,1H3,(H,24,26)/t12-,15+/m0/s1.
What are the key properties of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 58385870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).