1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide

C19H20FN5O3 — CID 170133997

IUPAC1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide
SMILESCC[C@H]1C(COc2nccc3cc(C(N)=O)c4nc(C)cn4c23)NC(=O)C1F
InChIInChI=1S/C19H20FN5O3/c1-3-11-13(24-18(27)14(11)20)8-28-19-15-10(4-5-22-19)6-12(16(21)26)17-23-9(2)7-25(15)17/h4-7,11,13-14H,3,8H2,1-2H3,(H2,21,26)(H,24,27)/t11-,13?,14?/m0/s1
InChIKeyQYSKOWYWTVQSRW-XGNXJENSSA-N
MW385.40 g/mol
LogP1.53
Rot. Bonds5

About 1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide

1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide (PubChem CID 170133997) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is 1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide
PubChem CID170133997
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide
SMILESCC[C@H]1C(COc2nccc3cc(C(N)=O)c4nc(C)cn4c23)NC(=O)C1F
InChIInChI=1S/C19H20FN5O3/c1-3-11-13(24-18(27)14(11)20)8-28-19-15-10(4-5-22-19)6-12(16(21)26)17-23-9(2)7-25(15)17/h4-7,11,13-14H,3,8H2,1-2H3,(H2,21,26)(H,24,27)/t11-,13?,14?/m0/s1
InChIKeyQYSKOWYWTVQSRW-XGNXJENSSA-N
XLogP1.53
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide
CID 155581750
1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414016
1-[[(2S,3R,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414556
5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide
CID 126622174
1-[[(2S,3R,4R)-4-amino-3-ethyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414818
3-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-5-methoxy-2-methylthieno[3,2-b]pyridine-6-carboxamide
CID 166682445
1-[[(2S,3S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 155582589
1-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methylamino]-7-methoxyisoquinoline-6-carboxamide
CID 142580637
8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile
CID 139386226
1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide
CID 138727748
6-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-4-propan-2-yl-2H-pyrido[3,4-g]isoquinolin-1-one
CID 169212898
1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde
CID 155581782

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide?
The IUPAC name of 1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide (CID 170133997) is 1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide.
What is the SMILES notation for 1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide?
The canonical SMILES for 1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide is CC[C@H]1C(COc2nccc3cc(C(N)=O)c4nc(C)cn4c23)NC(=O)C1F.
What is the InChIKey of 1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide?
The InChIKey is QYSKOWYWTVQSRW-XGNXJENSSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-3-11-13(24-18(27)14(11)20)8-28-19-15-10(4-5-22-19)6-12(16(21)26)17-23-9(2)7-25(15)17/h4-7,11,13-14H,3,8H2,1-2H3,(H2,21,26)(H,24,27)/t11-,13?,14?/m0/s1.
What are the key properties of 1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide?
1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-methylimidazo[1,2-a][1,7]naphthyridine-6-carboxamide is sourced from PubChem (CID 170133997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).