(1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide

C24H25FN6O4 — CID 10480294

IUPAC(1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)[C@@H](F)C3)c2n1
InChIInChI=1S/C24H25FN6O4/c1-34-21-7-5-17-22(31-21)18(8-9-26-17)29-24(33)13-2-4-16(15(25)10-13)27-11-14-3-6-19-23(28-14)30-20(32)12-35-19/h3,5-9,13,15-16,27H,2,4,10-12H2,1H3,(H,26,29,33)(H,28,30,32)/t13-,15+,16-/m1/s1
InChIKeyXEEHQKQGAJENMH-VNQPRFMTSA-N
MW480.50 g/mol
LogP2.60
Rot. Bonds6

About (1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide

(1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide (PubChem CID 10480294) has the molecular formula C24H25FN6O4 and a molecular weight of 480.50 g/mol. Its IUPAC name is (1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide
PubChem CID10480294
Molecular FormulaC24H25FN6O4
Molecular Weight480.50 g/mol
Exact Mass480.19
IUPAC Name(1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)[C@@H](F)C3)c2n1
InChIInChI=1S/C24H25FN6O4/c1-34-21-7-5-17-22(31-21)18(8-9-26-17)29-24(33)13-2-4-16(15(25)10-13)27-11-14-3-6-19-23(28-14)30-20(32)12-35-19/h3,5-9,13,15-16,27H,2,4,10-12H2,1H3,(H,26,29,33)(H,28,30,32)/t13-,15+,16-/m1/s1
InChIKeyXEEHQKQGAJENMH-VNQPRFMTSA-N
XLogP2.60
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide 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 (1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of (1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide (CID 10480294) is (1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for (1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for (1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide is COc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)[C@@H](F)C3)c2n1.
What is the InChIKey of (1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is XEEHQKQGAJENMH-VNQPRFMTSA-N. The full InChI is InChI=1S/C24H25FN6O4/c1-34-21-7-5-17-22(31-21)18(8-9-26-17)29-24(33)13-2-4-16(15(25)10-13)27-11-14-3-6-19-23(28-14)30-20(32)12-35-19/h3,5-9,13,15-16,27H,2,4,10-12H2,1H3,(H,26,29,33)(H,28,30,32)/t13-,15+,16-/m1/s1.
What are the key properties of (1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide?
(1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide has a molecular weight of 480.50 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 10480294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).