N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine

C19H14ClFN4 — CID 10155010

IUPACN-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine
SMILESCc1cc(Nc2n[nH]c3ccc(F)cc23)nc(-c2ccccc2Cl)c1
InChIInChI=1S/C19H14ClFN4/c1-11-8-17(13-4-2-3-5-15(13)20)22-18(9-11)23-19-14-10-12(21)6-7-16(14)24-25-19/h2-10H,1H3,(H2,22,23,24,25)
InChIKeyJVEQZVAZSWORQM-UHFFFAOYSA-N
MW352.80 g/mol
LogP5.47
Rot. Bonds3

About N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine

N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine (PubChem CID 10155010) has the molecular formula C19H14ClFN4 and a molecular weight of 352.80 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine
PubChem CID10155010
Molecular FormulaC19H14ClFN4
Molecular Weight352.80 g/mol
Exact Mass352.09
IUPAC NameN-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine
SMILESCc1cc(Nc2n[nH]c3ccc(F)cc23)nc(-c2ccccc2Cl)c1
InChIInChI=1S/C19H14ClFN4/c1-11-8-17(13-4-2-3-5-15(13)20)22-18(9-11)23-19-14-10-12(21)6-7-16(14)24-25-19/h2-10H,1H3,(H2,22,23,24,25)
InChIKeyJVEQZVAZSWORQM-UHFFFAOYSA-N
XLogP5.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.80
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine?
The IUPAC name of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine (CID 10155010) is N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine.
What is the SMILES notation for N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine?
The canonical SMILES for N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine is Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(-c2ccccc2Cl)c1.
What is the InChIKey of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine?
The InChIKey is JVEQZVAZSWORQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4/c1-11-8-17(13-4-2-3-5-15(13)20)22-18(9-11)23-19-14-10-12(21)6-7-16(14)24-25-19/h2-10H,1H3,(H2,22,23,24,25).
What are the key properties of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine?
N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine has a molecular weight of 352.80 g/mol, XLogP of 5.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 10155010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).