N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide

C18H17ClF2N4OS — CID 58386003

IUPACN-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide
SMILESN[C@@H]1CCCC(F)(F)[C@@H]1NC(=O)c1cc(-c2cnn3ccccc23)c(Cl)s1
InChIInChI=1S/C18H17ClF2N4OS/c19-16-10(11-9-23-25-7-2-1-5-13(11)25)8-14(27-16)17(26)24-15-12(22)4-3-6-18(15,20)21/h1-2,5,7-9,12,15H,3-4,6,22H2,(H,24,26)/t12-,15-/m1/s1
InChIKeyQIULUSQPWQYNBH-IUODEOHRSA-N
MW410.88 g/mol
LogP3.96
Rot. Bonds3

About N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide

N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide (PubChem CID 58386003) has the molecular formula C18H17ClF2N4OS and a molecular weight of 410.88 g/mol. Its IUPAC name is N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide
PubChem CID58386003
Molecular FormulaC18H17ClF2N4OS
Molecular Weight410.88 g/mol
Exact Mass410.08
IUPAC NameN-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide
SMILESN[C@@H]1CCCC(F)(F)[C@@H]1NC(=O)c1cc(-c2cnn3ccccc23)c(Cl)s1
InChIInChI=1S/C18H17ClF2N4OS/c19-16-10(11-9-23-25-7-2-1-5-13(11)25)8-14(27-16)17(26)24-15-12(22)4-3-6-18(15,20)21/h1-2,5,7-9,12,15H,3-4,6,22H2,(H,24,26)/t12-,15-/m1/s1
InChIKeyQIULUSQPWQYNBH-IUODEOHRSA-N
XLogP3.96
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide with MolForge

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Related Compounds

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
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]-5-(2-cyclopropylethynyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58385875
N-[(1R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-5-methylthiophene-2-carboxamide
CID 163802500
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-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide
CID 46842486
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-(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)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide
CID 91181312
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
N-(6-amino-2,2-difluorocyclohexyl)-5-ethenyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
CID 77187433

Frequently Asked Questions

What is the IUPAC name of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide (CID 58386003) is N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide is N[C@@H]1CCCC(F)(F)[C@@H]1NC(=O)c1cc(-c2cnn3ccccc23)c(Cl)s1.
What is the InChIKey of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is QIULUSQPWQYNBH-IUODEOHRSA-N. The full InChI is InChI=1S/C18H17ClF2N4OS/c19-16-10(11-9-23-25-7-2-1-5-13(11)25)8-14(27-16)17(26)24-15-12(22)4-3-6-18(15,20)21/h1-2,5,7-9,12,15H,3-4,6,22H2,(H,24,26)/t12-,15-/m1/s1.
What are the key properties of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide?
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 410.88 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 58386003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).