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]azetidine-1-carboxamide

C24H20ClF3N6O2 — CID 171524413

IUPAC3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(3-fluoro-2-pyridinyl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidine-1-carboxamide
SMILESC[C@]1(c2cccc(Cl)c2F)CN(c2ncccc2F)C(=O)c2cnc(NC3CN(C(N)=O)C3)c(F)c21
InChIInChI=1S/C24H20ClF3N6O2/c1-24(14-4-2-5-15(25)18(14)27)11-34(21-16(26)6-3-7-30-21)22(35)13-8-31-20(19(28)17(13)24)32-12-9-33(10-12)23(29)36/h2-8,12H,9-11H2,1H3,(H2,29,36)(H,31,32)/t24-/m1/s1
InChIKeyKCEDMBVCSFGIIB-XMMPIXPASA-N
MW516.91 g/mol
LogP3.69
Rot. Bonds4

About 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]azetidine-1-carboxamide

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]azetidine-1-carboxamide (PubChem CID 171524413) has the molecular formula C24H20ClF3N6O2 and a molecular weight of 516.91 g/mol. Its IUPAC name is 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]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(3-fluoro-2-pyridinyl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidine-1-carboxamide
PubChem CID171524413
Molecular FormulaC24H20ClF3N6O2
Molecular Weight516.91 g/mol
Exact Mass516.13
IUPAC Name3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(3-fluoro-2-pyridinyl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidine-1-carboxamide
SMILESC[C@]1(c2cccc(Cl)c2F)CN(c2ncccc2F)C(=O)c2cnc(NC3CN(C(N)=O)C3)c(F)c21
InChIInChI=1S/C24H20ClF3N6O2/c1-24(14-4-2-5-15(25)18(14)27)11-34(21-16(26)6-3-7-30-21)22(35)13-8-31-20(19(28)17(13)24)32-12-9-33(10-12)23(29)36/h2-8,12H,9-11H2,1H3,(H2,29,36)(H,31,32)/t24-/m1/s1
InChIKeyKCEDMBVCSFGIIB-XMMPIXPASA-N
XLogP3.69
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.91
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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]azetidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]azetidine-1-carboxamide?
The IUPAC name of 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]azetidine-1-carboxamide (CID 171524413) is 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]azetidine-1-carboxamide.
What is the SMILES notation for 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]azetidine-1-carboxamide?
The canonical SMILES for 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]azetidine-1-carboxamide is C[C@]1(c2cccc(Cl)c2F)CN(c2ncccc2F)C(=O)c2cnc(NC3CN(C(N)=O)C3)c(F)c21.
What is the InChIKey of 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]azetidine-1-carboxamide?
The InChIKey is KCEDMBVCSFGIIB-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20ClF3N6O2/c1-24(14-4-2-5-15(25)18(14)27)11-34(21-16(26)6-3-7-30-21)22(35)13-8-31-20(19(28)17(13)24)32-12-9-33(10-12)23(29)36/h2-8,12H,9-11H2,1H3,(H2,29,36)(H,31,32)/t24-/m1/s1.
What are the key properties of 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]azetidine-1-carboxamide?
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]azetidine-1-carboxamide has a molecular weight of 516.91 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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]azetidine-1-carboxamide is sourced from PubChem (CID 171524413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).