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

C20H15ClF3N5OS — CID 44816155

IUPACN-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESNC(C(NC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H15ClF3N5OS/c21-17-15(12-10-26-29-9-5-4-8-13(12)29)28-19(31-17)18(30)27-14(16(25)20(22,23)24)11-6-2-1-3-7-11/h1-10,14,16H,25H2,(H,27,30)
InChIKeyAHHSWTXHPHYCQF-UHFFFAOYSA-N
MW465.89 g/mol
LogP4.47
Rot. Bonds5

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

N-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 44816155) has the molecular formula C20H15ClF3N5OS and a molecular weight of 465.89 g/mol. Its IUPAC name is N-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID44816155
Molecular FormulaC20H15ClF3N5OS
Molecular Weight465.89 g/mol
Exact Mass465.06
IUPAC NameN-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESNC(C(NC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H15ClF3N5OS/c21-17-15(12-10-26-29-9-5-4-8-13(12)29)28-19(31-17)18(30)27-14(16(25)20(22,23)24)11-6-2-1-3-7-11/h1-10,14,16H,25H2,(H,27,30)
InChIKeyAHHSWTXHPHYCQF-UHFFFAOYSA-N
XLogP4.47
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.89
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (CID 44816155) is N-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is NC(C(NC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is AHHSWTXHPHYCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N5OS/c21-17-15(12-10-26-29-9-5-4-8-13(12)29)28-19(31-17)18(30)27-14(16(25)20(22,23)24)11-6-2-1-3-7-11/h1-10,14,16H,25H2,(H,27,30).
What are the key properties of N-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
N-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 465.89 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 44816155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).