1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea

C25H30FN5O2 — CID 24811151

IUPAC1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea
SMILESCNc1cc2c(cn1)cc(-c1cc(NC(=O)NC(C)C)c(F)cc1C)c(=O)n2C1CCCC1
InChIInChI=1S/C25H30FN5O2/c1-14(2)29-25(33)30-21-11-18(15(3)9-20(21)26)19-10-16-13-28-23(27-4)12-22(16)31(24(19)32)17-7-5-6-8-17/h9-14,17H,5-8H2,1-4H3,(H,27,28)(H2,29,30,33)
InChIKeyWLDAXJSYCJAVRI-UHFFFAOYSA-N
MW451.55 g/mol
LogP5.20
Rot. Bonds5

About 1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea

1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea (PubChem CID 24811151) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea
PubChem CID24811151
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC Name1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea
SMILESCNc1cc2c(cn1)cc(-c1cc(NC(=O)NC(C)C)c(F)cc1C)c(=O)n2C1CCCC1
InChIInChI=1S/C25H30FN5O2/c1-14(2)29-25(33)30-21-11-18(15(3)9-20(21)26)19-10-16-13-28-23(27-4)12-22(16)31(24(19)32)17-7-5-6-8-17/h9-14,17H,5-8H2,1-4H3,(H,27,28)(H2,29,30,33)
InChIKeyWLDAXJSYCJAVRI-UHFFFAOYSA-N
XLogP5.20
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-3-[2-fluoro-5-[1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]urea
CID 69297373
1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one
CID 141205527
1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea
CID 68983439
3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one
CID 148667805
1-[5-[8-cyclopentyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-fluoro-4-methylphenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea
CID 90747349
1-(4-tert-butylthiophen-2-yl)-3-[2-fluoro-4-methyl-5-[1-methyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]phenyl]urea
CID 69297383
1-(1-tert-butylpyrazol-4-yl)-3-[2-fluoro-4-methyl-5-[1-methyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]phenyl]urea
CID 69041434
1-(1-tert-butylpyrazol-4-yl)-3-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]urea
CID 69297436
1-(3-tert-butyl-4-chloro-1,2-oxazol-5-yl)-3-[2-fluoro-4-methyl-5-[1-methyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]phenyl]urea
CID 69094751
1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[(1R)-1-phenylethyl]urea
CID 69297883
1-cyclohexyl-3-[2-fluoro-5-[1-(1-hydroxypropan-2-yl)-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]phenyl]urea
CID 69036452
1-(1-tert-butyl-2-methylpyrrol-3-yl)-3-[2,4-difluoro-5-[1-methyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]phenyl]urea
CID 69037630

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea (CID 24811151) is 1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea is CNc1cc2c(cn1)cc(-c1cc(NC(=O)NC(C)C)c(F)cc1C)c(=O)n2C1CCCC1.
What is the InChIKey of 1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea?
The InChIKey is WLDAXJSYCJAVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-14(2)29-25(33)30-21-11-18(15(3)9-20(21)26)19-10-16-13-28-23(27-4)12-22(16)31(24(19)32)17-7-5-6-8-17/h9-14,17H,5-8H2,1-4H3,(H,27,28)(H2,29,30,33).
What are the key properties of 1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea?
1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea has a molecular weight of 451.55 g/mol, XLogP of 5.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea is sourced from PubChem (CID 24811151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).