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

C19H15ClFN5 — CID 10270349

IUPACN-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
SMILESCc1nc(-c2ccccc2Cl)nc(Nc2n[nH]c3ccc(F)cc23)c1C
InChIInChI=1S/C19H15ClFN5/c1-10-11(2)22-18(13-5-3-4-6-15(13)20)23-17(10)24-19-14-9-12(21)7-8-16(14)25-26-19/h3-9H,1-2H3,(H2,22,23,24,25,26)
InChIKeyJZFIOPRZBHRHQI-UHFFFAOYSA-N
MW367.82 g/mol
LogP5.17
Rot. Bonds3

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

N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine (PubChem CID 10270349) has the molecular formula C19H15ClFN5 and a molecular weight of 367.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
PubChem CID10270349
Molecular FormulaC19H15ClFN5
Molecular Weight367.82 g/mol
Exact Mass367.10
IUPAC NameN-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
SMILESCc1nc(-c2ccccc2Cl)nc(Nc2n[nH]c3ccc(F)cc23)c1C
InChIInChI=1S/C19H15ClFN5/c1-10-11(2)22-18(13-5-3-4-6-15(13)20)23-17(10)24-19-14-9-12(21)7-8-16(14)25-26-19/h3-9H,1-2H3,(H2,22,23,24,25,26)
InChIKeyJZFIOPRZBHRHQI-UHFFFAOYSA-N
XLogP5.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.82
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine (CID 10270349) is N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine is Cc1nc(-c2ccccc2Cl)nc(Nc2n[nH]c3ccc(F)cc23)c1C.
What is the InChIKey of N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine?
The InChIKey is JZFIOPRZBHRHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5/c1-10-11(2)22-18(13-5-3-4-6-15(13)20)23-17(10)24-19-14-9-12(21)7-8-16(14)25-26-19/h3-9H,1-2H3,(H2,22,23,24,25,26).
What are the key properties of N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine?
N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine has a molecular weight of 367.82 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 10270349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).