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

C24H25FN6O5 — CID 11518890

IUPACtrans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc2ncc(F)c(NC(=O)C3C[C@H](CNCc4ccc5c(n4)NC(=O)CO5)[C@H](O)C3)c2n1
InChIInChI=1S/C24H25FN6O5/c1-35-20-5-3-16-22(30-20)21(15(25)10-27-16)31-24(34)12-6-13(17(32)7-12)8-26-9-14-2-4-18-23(28-14)29-19(33)11-36-18/h2-5,10,12-13,17,26,32H,6-9,11H2,1H3,(H,27,31,34)(H,28,29,33)/t12?,13-,17-/m1/s1
InChIKeySKOFNISUFVBTQV-QQGYXAEISA-N
MW496.50 g/mol
LogP1.62
Rot. Bonds7

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

trans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide (PubChem CID 11518890) has the molecular formula C24H25FN6O5 and a molecular weight of 496.50 g/mol. Its IUPAC name is trans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide
PubChem CID11518890
Molecular FormulaC24H25FN6O5
Molecular Weight496.50 g/mol
Exact Mass496.19
IUPAC Nametrans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc2ncc(F)c(NC(=O)C3C[C@H](CNCc4ccc5c(n4)NC(=O)CO5)[C@H](O)C3)c2n1
InChIInChI=1S/C24H25FN6O5/c1-35-20-5-3-16-22(30-20)21(15(25)10-27-16)31-24(34)12-6-13(17(32)7-12)8-26-9-14-2-4-18-23(28-14)29-19(33)11-36-18/h2-5,10,12-13,17,26,32H,6-9,11H2,1H3,(H,27,31,34)(H,28,29,33)/t12?,13-,17-/m1/s1
InChIKeySKOFNISUFVBTQV-QQGYXAEISA-N
XLogP1.62
TPSA147.59 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.50
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze trans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide (CID 11518890) is trans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide is COc1ccc2ncc(F)c(NC(=O)C3C[C@H](CNCc4ccc5c(n4)NC(=O)CO5)[C@H](O)C3)c2n1.
What is the InChIKey of trans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide?
The InChIKey is SKOFNISUFVBTQV-QQGYXAEISA-N. The full InChI is InChI=1S/C24H25FN6O5/c1-35-20-5-3-16-22(30-20)21(15(25)10-27-16)31-24(34)12-6-13(17(32)7-12)8-26-9-14-2-4-18-23(28-14)29-19(33)11-36-18/h2-5,10,12-13,17,26,32H,6-9,11H2,1H3,(H,27,31,34)(H,28,29,33)/t12?,13-,17-/m1/s1.
What are the key properties of trans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide?
trans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide has a molecular weight of 496.50 g/mol, XLogP of 1.62, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,4R)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 11518890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).