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

C19H17ClF3N7O — CID 118308084

IUPAC5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1cc(Cl)ccc1-n1ccnn1
InChIInChI=1S/C19H17ClF3N7O/c20-11-4-5-15(30-7-6-26-29-30)12(8-11)18(31)28-14-3-1-2-13(14)27-17-10-24-16(9-25-17)19(21,22)23/h4-10,13-14H,1-3H2,(H,25,27)(H,28,31)/t13-,14-/m0/s1
InChIKeyVQQDJBCEKKVHLU-KBPBESRZSA-N
MW451.84 g/mol
LogP3.49
Rot. Bonds5

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

5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide (PubChem CID 118308084) has the molecular formula C19H17ClF3N7O and a molecular weight of 451.84 g/mol. Its IUPAC name is 5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide
PubChem CID118308084
Molecular FormulaC19H17ClF3N7O
Molecular Weight451.84 g/mol
Exact Mass451.11
IUPAC Name5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1cc(Cl)ccc1-n1ccnn1
InChIInChI=1S/C19H17ClF3N7O/c20-11-4-5-15(30-7-6-26-29-30)12(8-11)18(31)28-14-3-1-2-13(14)27-17-10-24-16(9-25-17)19(21,22)23/h4-10,13-14H,1-3H2,(H,25,27)(H,28,31)/t13-,14-/m0/s1
InChIKeyVQQDJBCEKKVHLU-KBPBESRZSA-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 5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]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 5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?
The IUPAC name of 5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide (CID 118308084) is 5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide.
What is the SMILES notation for 5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?
The canonical SMILES for 5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide is O=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1cc(Cl)ccc1-n1ccnn1.
What is the InChIKey of 5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?
The InChIKey is VQQDJBCEKKVHLU-KBPBESRZSA-N. The full InChI is InChI=1S/C19H17ClF3N7O/c20-11-4-5-15(30-7-6-26-29-30)12(8-11)18(31)28-14-3-1-2-13(14)27-17-10-24-16(9-25-17)19(21,22)23/h4-10,13-14H,1-3H2,(H,25,27)(H,28,31)/t13-,14-/m0/s1.
What are the key properties of 5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?
5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]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 5-chloro-2-(triazol-1-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide is sourced from PubChem (CID 118308084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).