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

C20H16ClFN4 — CID 10270291

IUPACN-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine
SMILESCc1cc(-c2ccccc2Cl)nc(Nc2n[nH]c3ccc(F)cc23)c1C
InChIInChI=1S/C20H16ClFN4/c1-11-9-18(14-5-3-4-6-16(14)21)23-19(12(11)2)24-20-15-10-13(22)7-8-17(15)25-26-20/h3-10H,1-2H3,(H2,23,24,25,26)
InChIKeyJRVNKHUIGUKFFU-UHFFFAOYSA-N
MW366.83 g/mol
LogP5.78
Rot. Bonds3

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

N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine (PubChem CID 10270291) has the molecular formula C20H16ClFN4 and a molecular weight of 366.83 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine
PubChem CID10270291
Molecular FormulaC20H16ClFN4
Molecular Weight366.83 g/mol
Exact Mass366.10
IUPAC NameN-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine
SMILESCc1cc(-c2ccccc2Cl)nc(Nc2n[nH]c3ccc(F)cc23)c1C
InChIInChI=1S/C20H16ClFN4/c1-11-9-18(14-5-3-4-6-16(14)21)23-19(12(11)2)24-20-15-10-13(22)7-8-17(15)25-26-20/h3-10H,1-2H3,(H2,23,24,25,26)
InChIKeyJRVNKHUIGUKFFU-UHFFFAOYSA-N
XLogP5.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.83
LogP ≤ 55.78
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)-3,4-dimethyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine?
The IUPAC name of N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine (CID 10270291) is N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine.
What is the SMILES notation for N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine?
The canonical SMILES for N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine is Cc1cc(-c2ccccc2Cl)nc(Nc2n[nH]c3ccc(F)cc23)c1C.
What is the InChIKey of N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine?
The InChIKey is JRVNKHUIGUKFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4/c1-11-9-18(14-5-3-4-6-16(14)21)23-19(12(11)2)24-20-15-10-13(22)7-8-17(15)25-26-20/h3-10H,1-2H3,(H2,23,24,25,26).
What are the key properties of N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine?
N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine has a molecular weight of 366.83 g/mol, XLogP of 5.78, 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)-3,4-dimethyl-2-pyridinyl]-5-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 10270291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).