4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide

C18H16ClF2N5O2S — CID 162586975

IUPAC4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ccn2ncc(-c3nc(C(=O)N[C@@H]4CCCCC4(F)F)sc3Cl)c2c1
InChIInChI=1S/C18H16ClF2N5O2S/c19-14-13(10-8-23-26-6-4-9(15(22)27)7-11(10)26)25-17(29-14)16(28)24-12-3-1-2-5-18(12,20)21/h4,6-8,12H,1-3,5H2,(H2,22,27)(H,24,28)/t12-/m1/s1
InChIKeyJPISSQWDZYTIFI-GFCCVEGCSA-N
MW439.88 g/mol
LogP3.52
Rot. Bonds4

About 4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide

4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 162586975) has the molecular formula C18H16ClF2N5O2S and a molecular weight of 439.88 g/mol. Its IUPAC name is 4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID162586975
Molecular FormulaC18H16ClF2N5O2S
Molecular Weight439.88 g/mol
Exact Mass439.07
IUPAC Name4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ccn2ncc(-c3nc(C(=O)N[C@@H]4CCCCC4(F)F)sc3Cl)c2c1
InChIInChI=1S/C18H16ClF2N5O2S/c19-14-13(10-8-23-26-6-4-9(15(22)27)7-11(10)26)25-17(29-14)16(28)24-12-3-1-2-5-18(12,20)21/h4,6-8,12H,1-3,5H2,(H2,22,27)(H,24,28)/t12-/m1/s1
InChIKeyJPISSQWDZYTIFI-GFCCVEGCSA-N
XLogP3.52
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.88
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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)-2,2-difluorocyclohexyl]-5-propan-2-yl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 143938761
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-(2-aminocyclopentyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 76773123
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-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 44816673
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]-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-[(1S)-2-aminocyclohexyl]-5-chloro-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-2-carboxamide
CID 67352066
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide
CID 58386003

Frequently Asked Questions

What is the IUPAC name of 4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide (CID 162586975) is 4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide is NC(=O)c1ccn2ncc(-c3nc(C(=O)N[C@@H]4CCCCC4(F)F)sc3Cl)c2c1.
What is the InChIKey of 4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is JPISSQWDZYTIFI-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16ClF2N5O2S/c19-14-13(10-8-23-26-6-4-9(15(22)27)7-11(10)26)25-17(29-14)16(28)24-12-3-1-2-5-18(12,20)21/h4,6-8,12H,1-3,5H2,(H2,22,27)(H,24,28)/t12-/m1/s1.
What are the key properties of 4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide?
4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 439.88 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-carbamoylpyrazolo[1,5-a]pyridin-3-yl)-5-chloro-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 162586975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).