6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine

C19H16ClFN4 — CID 11725714

IUPAC6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine
SMILESCn1cccc1CNc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C19H16ClFN4/c1-25-9-5-8-13(25)11-22-19-15-10-14(12-6-3-2-4-7-12)16(20)17(21)18(15)23-24-19/h2-10H,11H2,1H3,(H2,22,23,24)
InChIKeyVLRPJVCPCGTVLR-UHFFFAOYSA-N
MW354.82 g/mol
LogP4.97
Rot. Bonds4

About 6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine

6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine (PubChem CID 11725714) has the molecular formula C19H16ClFN4 and a molecular weight of 354.82 g/mol. Its IUPAC name is 6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine.

Molecular Properties

Compound Name6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine
PubChem CID11725714
Molecular FormulaC19H16ClFN4
Molecular Weight354.82 g/mol
Exact Mass354.10
IUPAC Name6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine
SMILESCn1cccc1CNc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C19H16ClFN4/c1-25-9-5-8-13(25)11-22-19-15-10-14(12-6-3-2-4-7-12)16(20)17(21)18(15)23-24-19/h2-10H,11H2,1H3,(H2,22,23,24)
InChIKeyVLRPJVCPCGTVLR-UHFFFAOYSA-N
XLogP4.97
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine 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-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine?
The IUPAC name of 6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine (CID 11725714) is 6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine.
What is the SMILES notation for 6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine?
The canonical SMILES for 6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine is Cn1cccc1CNc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12.
What is the InChIKey of 6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine?
The InChIKey is VLRPJVCPCGTVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4/c1-25-9-5-8-13(25)11-22-19-15-10-14(12-6-3-2-4-7-12)16(20)17(21)18(15)23-24-19/h2-10H,11H2,1H3,(H2,22,23,24).
What are the key properties of 6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine?
6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine has a molecular weight of 354.82 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine is sourced from PubChem (CID 11725714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).