[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone

C24H21FN4O2 — CID 86715496

IUPAC[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2ncccc2-c2cc(C(=O)N3CCOCC3)c3[nH]ncc3c2)ccc1F
InChIInChI=1S/C24H21FN4O2/c1-15-11-16(4-5-21(15)25)22-19(3-2-6-26-22)17-12-18-14-27-28-23(18)20(13-17)24(30)29-7-9-31-10-8-29/h2-6,11-14H,7-10H2,1H3,(H,27,28)
InChIKeyAKJVGHASRLHYRO-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.21
Rot. Bonds3

About [5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone

[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone (PubChem CID 86715496) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is [5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone
PubChem CID86715496
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2ncccc2-c2cc(C(=O)N3CCOCC3)c3[nH]ncc3c2)ccc1F
InChIInChI=1S/C24H21FN4O2/c1-15-11-16(4-5-21(15)25)22-19(3-2-6-26-22)17-12-18-14-27-28-23(18)20(13-17)24(30)29-7-9-31-10-8-29/h2-6,11-14H,7-10H2,1H3,(H,27,28)
InChIKeyAKJVGHASRLHYRO-UHFFFAOYSA-N
XLogP4.21
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone (CID 86715496) is [5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone is Cc1cc(-c2ncccc2-c2cc(C(=O)N3CCOCC3)c3[nH]ncc3c2)ccc1F.
What is the InChIKey of [5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone?
The InChIKey is AKJVGHASRLHYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-15-11-16(4-5-21(15)25)22-19(3-2-6-26-22)17-12-18-14-27-28-23(18)20(13-17)24(30)29-7-9-31-10-8-29/h2-6,11-14H,7-10H2,1H3,(H,27,28).
What are the key properties of [5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone?
[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone has a molecular weight of 416.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 86715496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).