[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

C22H23FN4O — CID 95092522

IUPAC[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc2c(Nc3cccc(F)c3)c(C(=O)N3CCCC[C@H]3C)cnc2n1
InChIInChI=1S/C22H23FN4O/c1-14-9-10-18-20(26-17-8-5-7-16(23)12-17)19(13-24-21(18)25-14)22(28)27-11-4-3-6-15(27)2/h5,7-10,12-13,15H,3-4,6,11H2,1-2H3,(H,24,25,26)/t15-/m1/s1
InChIKeyDMGHAHWMQHWJDE-OAHLLOKOSA-N
MW378.45 g/mol
LogP4.84
Rot. Bonds3

About [4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 95092522) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is [4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID95092522
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc2c(Nc3cccc(F)c3)c(C(=O)N3CCCC[C@H]3C)cnc2n1
InChIInChI=1S/C22H23FN4O/c1-14-9-10-18-20(26-17-8-5-7-16(23)12-17)19(13-24-21(18)25-14)22(28)27-11-4-3-6-15(27)2/h5,7-10,12-13,15H,3-4,6,11H2,1-2H3,(H,24,25,26)/t15-/m1/s1
InChIKeyDMGHAHWMQHWJDE-OAHLLOKOSA-N
XLogP4.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 95092522) is [4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is Cc1ccc2c(Nc3cccc(F)c3)c(C(=O)N3CCCC[C@H]3C)cnc2n1.
What is the InChIKey of [4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is DMGHAHWMQHWJDE-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-14-9-10-18-20(26-17-8-5-7-16(23)12-17)19(13-24-21(18)25-14)22(28)27-11-4-3-6-15(27)2/h5,7-10,12-13,15H,3-4,6,11H2,1-2H3,(H,24,25,26)/t15-/m1/s1.
What are the key properties of [4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 378.45 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 95092522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).