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

C21H14ClF3N4O — CID 118335318

IUPAC4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cc(Cl)ccn1
InChIInChI=1S/C21H14ClF3N4O/c22-15-9-10-26-17(11-15)20(30)27-19-16-3-1-2-4-18(16)29(28-19)12-13-5-7-14(8-6-13)21(23,24)25/h1-11H,12H2,(H,27,28,30)
InChIKeyOOOBGVRNNCOMII-UHFFFAOYSA-N
MW430.82 g/mol
LogP5.40
Rot. Bonds4

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

4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide (PubChem CID 118335318) has the molecular formula C21H14ClF3N4O and a molecular weight of 430.82 g/mol. Its IUPAC name is 4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide
PubChem CID118335318
Molecular FormulaC21H14ClF3N4O
Molecular Weight430.82 g/mol
Exact Mass430.08
IUPAC Name4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cc(Cl)ccn1
InChIInChI=1S/C21H14ClF3N4O/c22-15-9-10-26-17(11-15)20(30)27-19-16-3-1-2-4-18(16)29(28-19)12-13-5-7-14(8-6-13)21(23,24)25/h1-11H,12H2,(H,27,28,30)
InChIKeyOOOBGVRNNCOMII-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide (CID 118335318) is 4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?
The InChIKey is OOOBGVRNNCOMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O/c22-15-9-10-26-17(11-15)20(30)27-19-16-3-1-2-4-18(16)29(28-19)12-13-5-7-14(8-6-13)21(23,24)25/h1-11H,12H2,(H,27,28,30).
What are the key properties of 4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?
4-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 4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118335318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).