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

C14H11ClF3N5OS — CID 44814593

IUPACN-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESNC[C@H](NC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1)C(F)(F)F
InChIInChI=1S/C14H11ClF3N5OS/c15-11-10(7-6-20-23-4-2-1-3-8(7)23)22-13(25-11)12(24)21-9(5-19)14(16,17)18/h1-4,6,9H,5,19H2,(H,21,24)/t9-/m0/s1
InChIKeyIFGXXVHKVYPIOI-VIFPVBQESA-N
MW389.79 g/mol
LogP2.73
Rot. Bonds4

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

N-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 44814593) has the molecular formula C14H11ClF3N5OS and a molecular weight of 389.79 g/mol. Its IUPAC name is N-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID44814593
Molecular FormulaC14H11ClF3N5OS
Molecular Weight389.79 g/mol
Exact Mass389.03
IUPAC NameN-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESNC[C@H](NC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1)C(F)(F)F
InChIInChI=1S/C14H11ClF3N5OS/c15-11-10(7-6-20-23-4-2-1-3-8(7)23)22-13(25-11)12(24)21-9(5-19)14(16,17)18/h1-4,6,9H,5,19H2,(H,21,24)/t9-/m0/s1
InChIKeyIFGXXVHKVYPIOI-VIFPVBQESA-N
XLogP2.73
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.79
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (CID 44814593) is N-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is NC[C@H](NC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1)C(F)(F)F.
What is the InChIKey of N-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is IFGXXVHKVYPIOI-VIFPVBQESA-N. The full InChI is InChI=1S/C14H11ClF3N5OS/c15-11-10(7-6-20-23-4-2-1-3-8(7)23)22-13(25-11)12(24)21-9(5-19)14(16,17)18/h1-4,6,9H,5,19H2,(H,21,24)/t9-/m0/s1.
What are the key properties of N-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
N-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 389.79 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 44814593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).