[(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone

C16H15ClFN5OS — CID 58385960

IUPAC[(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone
SMILESN[C@@H]1CCN(C(=O)c2nc(-c3cnn4ccccc34)c(Cl)s2)C[C@H]1F
InChIInChI=1S/C16H15ClFN5OS/c17-14-13(9-7-20-23-5-2-1-3-12(9)23)21-15(25-14)16(24)22-6-4-11(19)10(18)8-22/h1-3,5,7,10-11H,4,6,8,19H2/t10-,11-/m1/s1
InChIKeySWDKTLXRWZEQHY-GHMZBOCLSA-N
MW379.85 g/mol
LogP2.62
Rot. Bonds2

About [(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone

[(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone (PubChem CID 58385960) has the molecular formula C16H15ClFN5OS and a molecular weight of 379.85 g/mol. Its IUPAC name is [(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone
PubChem CID58385960
Molecular FormulaC16H15ClFN5OS
Molecular Weight379.85 g/mol
Exact Mass379.07
IUPAC Name[(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone
SMILESN[C@@H]1CCN(C(=O)c2nc(-c3cnn4ccccc34)c(Cl)s2)C[C@H]1F
InChIInChI=1S/C16H15ClFN5OS/c17-14-13(9-7-20-23-5-2-1-3-12(9)23)21-15(25-14)16(24)22-6-4-11(19)10(18)8-22/h1-3,5,7,10-11H,4,6,8,19H2/t10-,11-/m1/s1
InChIKeySWDKTLXRWZEQHY-GHMZBOCLSA-N
XLogP2.62
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone with MolForge

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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
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-[(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
N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58386025
N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 44816156
[(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol
CID 143938801
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
5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-N-quinolin-7-yl-1,3-thiazole-2-carboxamide
CID 58385930
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
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

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone (CID 58385960) is [(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone is N[C@@H]1CCN(C(=O)c2nc(-c3cnn4ccccc34)c(Cl)s2)C[C@H]1F.
What is the InChIKey of [(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone?
The InChIKey is SWDKTLXRWZEQHY-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H15ClFN5OS/c17-14-13(9-7-20-23-5-2-1-3-12(9)23)21-15(25-14)16(24)22-6-4-11(19)10(18)8-22/h1-3,5,7,10-11H,4,6,8,19H2/t10-,11-/m1/s1.
What are the key properties of [(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone?
[(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone has a molecular weight of 379.85 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-amino-3-fluoropiperidin-1-yl]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 58385960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).