1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea

C24H23ClFN5O2 — CID 146469205

IUPAC1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea
SMILESCCC1C(=O)N(c2cc(NC(=O)Nc3ccccc3)c(F)cc2Cl)Cc2cnc(NC)cc21
InChIInChI=1S/C24H23ClFN5O2/c1-3-16-17-9-22(27-2)28-12-14(17)13-31(23(16)32)21-11-20(19(26)10-18(21)25)30-24(33)29-15-7-5-4-6-8-15/h4-12,16H,3,13H2,1-2H3,(H,27,28)(H2,29,30,33)
InChIKeyDRCNHOLYFQMHSQ-UHFFFAOYSA-N
MW467.93 g/mol
LogP5.60
Rot. Bonds5

About 1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea

1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea (PubChem CID 146469205) has the molecular formula C24H23ClFN5O2 and a molecular weight of 467.93 g/mol. Its IUPAC name is 1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea
PubChem CID146469205
Molecular FormulaC24H23ClFN5O2
Molecular Weight467.93 g/mol
Exact Mass467.15
IUPAC Name1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea
SMILESCCC1C(=O)N(c2cc(NC(=O)Nc3ccccc3)c(F)cc2Cl)Cc2cnc(NC)cc21
InChIInChI=1S/C24H23ClFN5O2/c1-3-16-17-9-22(27-2)28-12-14(17)13-31(23(16)32)21-11-20(19(26)10-18(21)25)30-24(33)29-15-7-5-4-6-8-15/h4-12,16H,3,13H2,1-2H3,(H,27,28)(H2,29,30,33)
InChIKeyDRCNHOLYFQMHSQ-UHFFFAOYSA-N
XLogP5.60
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.93
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-5-(1-ethyl-7-methylsulfanyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-2-fluorophenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 67063180
1-[2-fluoro-4-methyl-5-[1-methyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]phenyl]-3-[(1S)-1-phenylethyl]urea
CID 24811046
1-[4-chloro-5-[1-ethyl-2-oxo-7-(oxolan-3-ylamino)-1,6-naphthyridin-3-yl]-2-fluorophenyl]-3-phenylurea
CID 71585017
1-[4-chloro-5-[1-ethyl-7-(2-methylsulfanylethylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]-3-phenylurea
CID 86713652
1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea
CID 24810936
1-[4-chloro-5-[1-ethyl-7-[[(2S)-2-methoxypyran-2-yl]amino]-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]-3-phenylurea
CID 142767491
1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499
1-[4-chloro-5-[4-ethyl-7-(methylamino)-2-oxopyrimido[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 68984349
5-chloro-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921898
1-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113030715
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[2-fluoro-5-[1-(2-hydroxyethyl)-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]phenyl]urea
CID 24812540
1-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]-3-phenylurea
CID 24814514

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea?
The IUPAC name of 1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea (CID 146469205) is 1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea?
The canonical SMILES for 1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea is CCC1C(=O)N(c2cc(NC(=O)Nc3ccccc3)c(F)cc2Cl)Cc2cnc(NC)cc21.
What is the InChIKey of 1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea?
The InChIKey is DRCNHOLYFQMHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O2/c1-3-16-17-9-22(27-2)28-12-14(17)13-31(23(16)32)21-11-20(19(26)10-18(21)25)30-24(33)29-15-7-5-4-6-8-15/h4-12,16H,3,13H2,1-2H3,(H,27,28)(H2,29,30,33).
What are the key properties of 1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea?
1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea has a molecular weight of 467.93 g/mol, XLogP of 5.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-5-[4-ethyl-6-(methylamino)-3-oxo-1,4-dihydro-2,7-naphthyridin-2-yl]-2-fluorophenyl]-3-phenylurea is sourced from PubChem (CID 146469205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).