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

C21H16ClFN4O — CID 118466742

IUPAC6-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1cccc(Cl)n1
InChIInChI=1S/C21H16ClFN4O/c22-19-7-3-5-17(24-19)21(28)25-20-16-4-1-2-6-18(16)27(26-20)13-15-10-8-14(12-23)9-11-15/h1-11H,12-13H2,(H,25,26,28)
InChIKeyAGZAKCFMIRPKLE-UHFFFAOYSA-N
MW394.84 g/mol
LogP4.85
Rot. Bonds5

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

6-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide (PubChem CID 118466742) has the molecular formula C21H16ClFN4O and a molecular weight of 394.84 g/mol. Its IUPAC name is 6-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide
PubChem CID118466742
Molecular FormulaC21H16ClFN4O
Molecular Weight394.84 g/mol
Exact Mass394.10
IUPAC Name6-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1cccc(Cl)n1
InChIInChI=1S/C21H16ClFN4O/c22-19-7-3-5-17(24-19)21(28)25-20-16-4-1-2-6-18(16)27(26-20)13-15-10-8-14(12-23)9-11-15/h1-11H,12-13H2,(H,25,26,28)
InChIKeyAGZAKCFMIRPKLE-UHFFFAOYSA-N
XLogP4.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide (CID 118466742) is 6-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide is O=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?
The InChIKey is AGZAKCFMIRPKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O/c22-19-7-3-5-17(24-19)21(28)25-20-16-4-1-2-6-18(16)27(26-20)13-15-10-8-14(12-23)9-11-15/h1-11H,12-13H2,(H,25,26,28).
What are the key properties of 6-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide?
6-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide has a molecular weight of 394.84 g/mol, XLogP of 4.85, 5 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-(fluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118466742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).