(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

C29H27ClF3N5O3 — CID 171524301

IUPAC(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
SMILESC[C@@H](O)c1ccc(N2C[C@](C)(c3cccc(Cl)c3F)c3c(cnc(NC4CN(C(=O)[C@@H]5C[C@@H]5F)C4)c3F)C2=O)nc1
InChIInChI=1S/C29H27ClF3N5O3/c1-14(39)15-6-7-22(34-9-15)38-13-29(2,19-4-3-5-20(30)24(19)32)23-18(28(38)41)10-35-26(25(23)33)36-16-11-37(12-16)27(40)17-8-21(17)31/h3-7,9-10,14,16-17,21,39H,8,11-13H2,1-2H3,(H,35,36)/t14-,17-,21+,29-/m1/s1
InChIKeyCHRIHIADCIDSSP-GBFFHQGISA-N
MW586.01 g/mol
LogP4.41
Rot. Bonds6

About (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

(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 (PubChem CID 171524301) has the molecular formula C29H27ClF3N5O3 and a molecular weight of 586.01 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171524301
Molecular FormulaC29H27ClF3N5O3
Molecular Weight586.01 g/mol
Exact Mass585.18
IUPAC Name(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
SMILESC[C@@H](O)c1ccc(N2C[C@](C)(c3cccc(Cl)c3F)c3c(cnc(NC4CN(C(=O)[C@@H]5C[C@@H]5F)C4)c3F)C2=O)nc1
InChIInChI=1S/C29H27ClF3N5O3/c1-14(39)15-6-7-22(34-9-15)38-13-29(2,19-4-3-5-20(30)24(19)32)23-18(28(38)41)10-35-26(25(23)33)36-16-11-37(12-16)27(40)17-8-21(17)31/h3-7,9-10,14,16-17,21,39H,8,11-13H2,1-2H3,(H,35,36)/t14-,17-,21+,29-/m1/s1
InChIKeyCHRIHIADCIDSSP-GBFFHQGISA-N
XLogP4.41
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.01
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H](O)c1ccc(N2C[C@](C)(c3cccc(Cl)c3F)c3c(cnc(NC4CN(C(=O)[C@@H]5C[C@@H]5F)C4)c3F)C2=O)nc1.
What is the InChIKey of (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?
The InChIKey is CHRIHIADCIDSSP-GBFFHQGISA-N. The full InChI is InChI=1S/C29H27ClF3N5O3/c1-14(39)15-6-7-22(34-9-15)38-13-29(2,19-4-3-5-20(30)24(19)32)23-18(28(38)41)10-35-26(25(23)33)36-16-11-37(12-16)27(40)17-8-21(17)31/h3-7,9-10,14,16-17,21,39H,8,11-13H2,1-2H3,(H,35,36)/t14-,17-,21+,29-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 586.01 g/mol, XLogP of 4.41, 6 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)-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 is sourced from PubChem (CID 171524301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).