[4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine

C19H16ClFN4 — CID 141328593

IUPAC[4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine
SMILESCc1cc(-c2c(Cl)c3cc(F)ccc3n2-c2ccc(CN)cc2)n[nH]1
InChIInChI=1S/C19H16ClFN4/c1-11-8-16(24-23-11)19-18(20)15-9-13(21)4-7-17(15)25(19)14-5-2-12(10-22)3-6-14/h2-9H,10,22H2,1H3,(H,23,24)
InChIKeyWCQCSQZKTSQMDY-UHFFFAOYSA-N
MW354.82 g/mol
LogP4.58
Rot. Bonds3

About [4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine

[4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine (PubChem CID 141328593) has the molecular formula C19H16ClFN4 and a molecular weight of 354.82 g/mol. Its IUPAC name is [4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine
PubChem CID141328593
Molecular FormulaC19H16ClFN4
Molecular Weight354.82 g/mol
Exact Mass354.10
IUPAC Name[4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine
SMILESCc1cc(-c2c(Cl)c3cc(F)ccc3n2-c2ccc(CN)cc2)n[nH]1
InChIInChI=1S/C19H16ClFN4/c1-11-8-16(24-23-11)19-18(20)15-9-13(21)4-7-17(15)25(19)14-5-2-12(10-22)3-6-14/h2-9H,10,22H2,1H3,(H,23,24)
InChIKeyWCQCSQZKTSQMDY-UHFFFAOYSA-N
XLogP4.58
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine?
The IUPAC name of [4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine (CID 141328593) is [4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine?
The canonical SMILES for [4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine is Cc1cc(-c2c(Cl)c3cc(F)ccc3n2-c2ccc(CN)cc2)n[nH]1.
What is the InChIKey of [4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine?
The InChIKey is WCQCSQZKTSQMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4/c1-11-8-16(24-23-11)19-18(20)15-9-13(21)4-7-17(15)25(19)14-5-2-12(10-22)3-6-14/h2-9H,10,22H2,1H3,(H,23,24).
What are the key properties of [4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine?
[4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine has a molecular weight of 354.82 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-chloro-5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]phenyl]methanamine is sourced from PubChem (CID 141328593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).