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

C22H22ClFN4O — CID 95092536

IUPAC[4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCc1ccc2c(Nc3ccc(F)c(Cl)c3)c(C(=O)N3CCC[C@@H](C)C3)cnc2n1
InChIInChI=1S/C22H22ClFN4O/c1-13-4-3-9-28(12-13)22(29)17-11-25-21-16(7-5-14(2)26-21)20(17)27-15-6-8-19(24)18(23)10-15/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,25,26,27)/t13-/m1/s1
InChIKeyBVISNQJBGFCMFM-CYBMUJFWSA-N
MW412.90 g/mol
LogP5.35
Rot. Bonds3

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

[4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 95092536) has the molecular formula C22H22ClFN4O and a molecular weight of 412.90 g/mol. Its IUPAC name is [4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
PubChem CID95092536
Molecular FormulaC22H22ClFN4O
Molecular Weight412.90 g/mol
Exact Mass412.15
IUPAC Name[4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCc1ccc2c(Nc3ccc(F)c(Cl)c3)c(C(=O)N3CCC[C@@H](C)C3)cnc2n1
InChIInChI=1S/C22H22ClFN4O/c1-13-4-3-9-28(12-13)22(29)17-11-25-21-16(7-5-14(2)26-21)20(17)27-15-6-8-19(24)18(23)10-15/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,25,26,27)/t13-/m1/s1
InChIKeyBVISNQJBGFCMFM-CYBMUJFWSA-N
XLogP5.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.90
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-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

Related Compounds

[4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 53132281
2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146064161
[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064202
[4-(3-ethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95092576
[4-(3-ethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064141
ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate
CID 95092578
[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063945
2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146063790
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063816
N-[4-[[7-methyl-3-(4-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]acetamide
CID 53132327
[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 146063957
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone (CID 95092536) is [4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone is Cc1ccc2c(Nc3ccc(F)c(Cl)c3)c(C(=O)N3CCC[C@@H](C)C3)cnc2n1.
What is the InChIKey of [4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The InChIKey is BVISNQJBGFCMFM-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H22ClFN4O/c1-13-4-3-9-28(12-13)22(29)17-11-25-21-16(7-5-14(2)26-21)20(17)27-15-6-8-19(24)18(23)10-15/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,25,26,27)/t13-/m1/s1.
What are the key properties of [4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
[4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 412.90 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 95092536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).