7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C24H26ClFN6O4 — CID 59026094

IUPAC7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(F)c(CCN3C[C@@H](CNCc4nc5c(cc4Cl)OCC(=O)N5)[C@@H](O)C3)c2n1
InChIInChI=1S/C24H26ClFN6O4/c1-35-22-3-2-17-23(31-22)14(16(26)8-28-17)4-5-32-10-13(19(33)11-32)7-27-9-18-15(25)6-20-24(29-18)30-21(34)12-36-20/h2-3,6,8,13,19,27,33H,4-5,7,9-12H2,1H3,(H,29,30,34)/t13-,19+/m1/s1
InChIKeyGOHOWUAAORPINE-YJYMSZOUSA-N
MW516.96 g/mol
LogP1.78
Rot. Bonds8

About 7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 59026094) has the molecular formula C24H26ClFN6O4 and a molecular weight of 516.96 g/mol. Its IUPAC name is 7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID59026094
Molecular FormulaC24H26ClFN6O4
Molecular Weight516.96 g/mol
Exact Mass516.17
IUPAC Name7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(F)c(CCN3C[C@@H](CNCc4nc5c(cc4Cl)OCC(=O)N5)[C@@H](O)C3)c2n1
InChIInChI=1S/C24H26ClFN6O4/c1-35-22-3-2-17-23(31-22)14(16(26)8-28-17)4-5-32-10-13(19(33)11-32)7-27-9-18-15(25)6-20-24(29-18)30-21(34)12-36-20/h2-3,6,8,13,19,27,33H,4-5,7,9-12H2,1H3,(H,29,30,34)/t13-,19+/m1/s1
InChIKeyGOHOWUAAORPINE-YJYMSZOUSA-N
XLogP1.78
TPSA121.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.96
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 59026094) is 7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ncc(F)c(CCN3C[C@@H](CNCc4nc5c(cc4Cl)OCC(=O)N5)[C@@H](O)C3)c2n1.
What is the InChIKey of 7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is GOHOWUAAORPINE-YJYMSZOUSA-N. The full InChI is InChI=1S/C24H26ClFN6O4/c1-35-22-3-2-17-23(31-22)14(16(26)8-28-17)4-5-32-10-13(19(33)11-32)7-27-9-18-15(25)6-20-24(29-18)30-21(34)12-36-20/h2-3,6,8,13,19,27,33H,4-5,7,9-12H2,1H3,(H,29,30,34)/t13-,19+/m1/s1.
What are the key properties of 7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 516.96 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[[[(3R,4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 59026094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).