(4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one

C29H30ClF2N5O2 — CID 171524276

IUPAC(4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one
SMILESCC(O)c1ccc(N2C[C@](C)(c3cccc(Cl)c3F)c3c(cnc(NC4CN(CC5CC5)C4)c3F)C2=O)nc1
InChIInChI=1S/C29H30ClF2N5O2/c1-16(38)18-8-9-23(33-10-18)37-15-29(2,21-4-3-5-22(30)25(21)31)24-20(28(37)39)11-34-27(26(24)32)35-19-13-36(14-19)12-17-6-7-17/h3-5,8-11,16-17,19,38H,6-7,12-15H2,1-2H3,(H,34,35)/t16?,29-/m1/s1
InChIKeyLZLWBNLWCYBQKB-DSANZHRBSA-N
MW554.04 g/mol
LogP4.93
Rot. Bonds7

About (4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one

(4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one (PubChem CID 171524276) has the molecular formula C29H30ClF2N5O2 and a molecular weight of 554.04 g/mol. Its IUPAC name is (4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name(4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one
PubChem CID171524276
Molecular FormulaC29H30ClF2N5O2
Molecular Weight554.04 g/mol
Exact Mass553.21
IUPAC Name(4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one
SMILESCC(O)c1ccc(N2C[C@](C)(c3cccc(Cl)c3F)c3c(cnc(NC4CN(CC5CC5)C4)c3F)C2=O)nc1
InChIInChI=1S/C29H30ClF2N5O2/c1-16(38)18-8-9-23(33-10-18)37-15-29(2,21-4-3-5-22(30)25(21)31)24-20(28(37)39)11-34-27(26(24)32)35-19-13-36(14-19)12-17-6-7-17/h3-5,8-11,16-17,19,38H,6-7,12-15H2,1-2H3,(H,34,35)/t16?,29-/m1/s1
InChIKeyLZLWBNLWCYBQKB-DSANZHRBSA-N
XLogP4.93
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.04
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one with MolForge

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Related Compounds

5-chloro-2-(difluoromethyl)-N-[4-[[1-[5-(hydroxymethyl)-2-pyridinyl]-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 166653179
6-chloro-2-(4,4-difluoropiperidin-1-yl)-8-[(1R)-1-[[3-(dihydroxymethyl)-2-pyridinyl]amino]ethyl]-3-methylquinazolin-4-one
CID 168202976
(8R)-8-(3-chloro-2-fluorophenyl)-6-(3-fluoro-2-pyridinyl)-2-[[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]azetidin-3-yl]amino]-8-methyl-7H-pyrido[4,3-d]pyrimidin-5-one
CID 171524264
(8R)-8-(3-chloro-2-fluorophenyl)-6-(3-fluoro-2-pyridinyl)-8-methyl-2-[[1-[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]azetidin-3-yl]amino]-7H-pyrido[4,3-d]pyrimidin-5-one
CID 171524283
tert-butyl 3-[[(5S)-5-(3-chloro-2-fluorophenyl)-7-[5-(hydroxymethyl)-2-pyridinyl]-4,5-dimethyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidine-1-carboxylate
CID 171524293
(4R)-2-[4-(aminomethyl)-2,5-difluorophenyl]-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-3H-2,7-naphthyridin-1-one
CID 171524300
(4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-2-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one
CID 171524301
(4R)-6-(azetidin-3-ylamino)-4-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-2-pyridin-2-yl-3H-2,7-naphthyridin-1-one
CID 171524302
3-[[(8S)-8-(3-chloro-2-fluorophenyl)-6-(3-fluoro-2-pyridinyl)-8-methyl-5-oxo-7H-pyrido[4,3-d]pyrimidin-2-yl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide
CID 171524303
(4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-2-(3-fluoro-2-pyridinyl)-4-methyl-3H-2,7-naphthyridin-1-one
CID 171524314
3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(3-fluoro-2-pyridinyl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]-N-methylazetidine-1-carboxamide
CID 171524315
8-(3-chloro-2-fluorophenyl)-6-(3-fluoro-2-pyridinyl)-2-[[1-[[(1R)-1-hydroxy-2,2-dimethylcyclopropyl]methoxymethyl]azetidin-3-yl]amino]-8-methyl-7H-pyrido[4,3-d]pyrimidin-5-one
CID 171524319

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one?
The IUPAC name of (4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one (CID 171524276) is (4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one.
What is the SMILES notation for (4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one?
The canonical SMILES for (4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one is CC(O)c1ccc(N2C[C@](C)(c3cccc(Cl)c3F)c3c(cnc(NC4CN(CC5CC5)C4)c3F)C2=O)nc1.
What is the InChIKey of (4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one?
The InChIKey is LZLWBNLWCYBQKB-DSANZHRBSA-N. The full InChI is InChI=1S/C29H30ClF2N5O2/c1-16(38)18-8-9-23(33-10-18)37-15-29(2,21-4-3-5-22(30)25(21)31)24-20(28(37)39)11-34-27(26(24)32)35-19-13-36(14-19)12-17-6-7-17/h3-5,8-11,16-17,19,38H,6-7,12-15H2,1-2H3,(H,34,35)/t16?,29-/m1/s1.
What are the key properties of (4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one?
(4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one has a molecular weight of 554.04 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-chloro-2-fluorophenyl)-6-[[1-(cyclopropylmethyl)azetidin-3-yl]amino]-5-fluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]-4-methyl-3H-2,7-naphthyridin-1-one is sourced from PubChem (CID 171524276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).