6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide

C21H14ClF3N4O — CID 118335392

IUPAC6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(Cl)n1
InChIInChI=1S/C21H14ClF3N4O/c22-18-7-3-5-16(26-18)20(30)27-19-15-4-1-2-6-17(15)29(28-19)12-13-8-10-14(11-9-13)21(23,24)25/h1-11H,12H2,(H,27,28,30)
InChIKeyLTMSBWMAMHKKLC-UHFFFAOYSA-N
MW430.82 g/mol
LogP5.40
Rot. Bonds4

About 6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide

6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide (PubChem CID 118335392) has the molecular formula C21H14ClF3N4O and a molecular weight of 430.82 g/mol. Its IUPAC name is 6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide
PubChem CID118335392
Molecular FormulaC21H14ClF3N4O
Molecular Weight430.82 g/mol
Exact Mass430.08
IUPAC Name6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(Cl)n1
InChIInChI=1S/C21H14ClF3N4O/c22-18-7-3-5-16(26-18)20(30)27-19-15-4-1-2-6-17(15)29(28-19)12-13-8-10-14(11-9-13)21(23,24)25/h1-11H,12H2,(H,27,28,30)
InChIKeyLTMSBWMAMHKKLC-UHFFFAOYSA-N
XLogP5.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.82
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide 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 6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide (CID 118335392) is 6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?
The InChIKey is LTMSBWMAMHKKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O/c22-18-7-3-5-16(26-18)20(30)27-19-15-4-1-2-6-17(15)29(28-19)12-13-8-10-14(11-9-13)21(23,24)25/h1-11H,12H2,(H,27,28,30).
What are the key properties of 6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?
6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide has a molecular weight of 430.82 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118335392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).