[3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone

C24H22FN5O2 — CID 166205618

IUPAC[3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone
SMILESCc1nn(-c2ccccc2F)c(C)c1C1COCCN1C(=O)c1ccnc2ccncc12
InChIInChI=1S/C24H22FN5O2/c1-15-23(16(2)30(28-15)21-6-4-3-5-19(21)25)22-14-32-12-11-29(22)24(31)17-7-10-27-20-8-9-26-13-18(17)20/h3-10,13,22H,11-12,14H2,1-2H3
InChIKeyWEBXFKGIRFGEOZ-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.79
Rot. Bonds3

About [3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone

[3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone (PubChem CID 166205618) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is [3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone.

Molecular Properties

Compound Name[3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone
PubChem CID166205618
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name[3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone
SMILESCc1nn(-c2ccccc2F)c(C)c1C1COCCN1C(=O)c1ccnc2ccncc12
InChIInChI=1S/C24H22FN5O2/c1-15-23(16(2)30(28-15)21-6-4-3-5-19(21)25)22-14-32-12-11-29(22)24(31)17-7-10-27-20-8-9-26-13-18(17)20/h3-10,13,22H,11-12,14H2,1-2H3
InChIKeyWEBXFKGIRFGEOZ-UHFFFAOYSA-N
XLogP3.79
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone?
The IUPAC name of [3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone (CID 166205618) is [3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone.
What is the SMILES notation for [3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone?
The canonical SMILES for [3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone is Cc1nn(-c2ccccc2F)c(C)c1C1COCCN1C(=O)c1ccnc2ccncc12.
What is the InChIKey of [3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone?
The InChIKey is WEBXFKGIRFGEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-15-23(16(2)30(28-15)21-6-4-3-5-19(21)25)22-14-32-12-11-29(22)24(31)17-7-10-27-20-8-9-26-13-18(17)20/h3-10,13,22H,11-12,14H2,1-2H3.
What are the key properties of [3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone?
[3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone has a molecular weight of 431.47 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1,6-naphthyridin-4-yl)methanone is sourced from PubChem (CID 166205618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).