N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide

C19H17ClF3N7O — CID 118308153

IUPACN-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1ncc(C(F)(F)F)nc1Cl)c1ccccc1-n1nccn1
InChIInChI=1S/C19H17ClF3N7O/c20-16-17(24-10-15(29-16)19(21,22)23)27-12-5-3-6-13(12)28-18(31)11-4-1-2-7-14(11)30-25-8-9-26-30/h1-2,4,7-10,12-13H,3,5-6H2,(H,24,27)(H,28,31)/t12-,13-/m0/s1
InChIKeyZTLPQGLSAQDXIF-STQMWFEESA-N
MW451.84 g/mol
LogP3.49
Rot. Bonds5

About N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide

N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide (PubChem CID 118308153) has the molecular formula C19H17ClF3N7O and a molecular weight of 451.84 g/mol. Its IUPAC name is N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide
PubChem CID118308153
Molecular FormulaC19H17ClF3N7O
Molecular Weight451.84 g/mol
Exact Mass451.11
IUPAC NameN-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1ncc(C(F)(F)F)nc1Cl)c1ccccc1-n1nccn1
InChIInChI=1S/C19H17ClF3N7O/c20-16-17(24-10-15(29-16)19(21,22)23)27-12-5-3-6-13(12)28-18(31)11-4-1-2-7-14(11)30-25-8-9-26-30/h1-2,4,7-10,12-13H,3,5-6H2,(H,24,27)(H,28,31)/t12-,13-/m0/s1
InChIKeyZTLPQGLSAQDXIF-STQMWFEESA-N
XLogP3.49
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.84
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide (CID 118308153) is N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide is O=C(N[C@H]1CCC[C@@H]1Nc1ncc(C(F)(F)F)nc1Cl)c1ccccc1-n1nccn1.
What is the InChIKey of N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
The InChIKey is ZTLPQGLSAQDXIF-STQMWFEESA-N. The full InChI is InChI=1S/C19H17ClF3N7O/c20-16-17(24-10-15(29-16)19(21,22)23)27-12-5-3-6-13(12)28-18(31)11-4-1-2-7-14(11)30-25-8-9-26-30/h1-2,4,7-10,12-13H,3,5-6H2,(H,24,27)(H,28,31)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide has a molecular weight of 451.84 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 118308153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).