(7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C19H17FN4O — CID 90035219

IUPAC(7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESC=CC[C@H]1CNC(=O)c2cc(-c3cccc4nc(C)c(F)nc34)[nH]c21
InChIInChI=1S/C19H17FN4O/c1-3-5-11-9-21-19(25)13-8-15(23-16(11)13)12-6-4-7-14-17(12)24-18(20)10(2)22-14/h3-4,6-8,11,23H,1,5,9H2,2H3,(H,21,25)/t11-/m0/s1
InChIKeyVOGQZMFSKYLAGD-NSHDSACASA-N
MW336.37 g/mol
LogP3.48
Rot. Bonds3

About (7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

(7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 90035219) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is (7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name(7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID90035219
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name(7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESC=CC[C@H]1CNC(=O)c2cc(-c3cccc4nc(C)c(F)nc34)[nH]c21
InChIInChI=1S/C19H17FN4O/c1-3-5-11-9-21-19(25)13-8-15(23-16(11)13)12-6-4-7-14-17(12)24-18(20)10(2)22-14/h3-4,6-8,11,23H,1,5,9H2,2H3,(H,21,25)/t11-/m0/s1
InChIKeyVOGQZMFSKYLAGD-NSHDSACASA-N
XLogP3.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 90035175
(7S)-2-[2-methyl-3-(2-methylprop-2-enylsulfanyl)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 90035231
(7S)-2-[3-[[(2S)-1-hydroxybut-3-en-2-yl]amino]-2-methylquinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 90035274
7-[(2R)-4-azido-2-methylbutyl]-2-(3-fluoro-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 90035100
7-(4-azido-3-methylbutyl)-2-(3-fluoro-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 90035119
7-but-2-ynyl-2-[3-(but-2-ynylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 144566559
(9R,13R)-13,16-dimethyl-3,7,14,17,23-pentazapentacyclo[13.6.2.12,5.04,9.018,22]tetracosa-1(22),2(24),4,15(23),16,18,20-heptaen-6-one
CID 90058756
(9S,13R)-13,16-dimethyl-3,7,14,17,23-pentazapentacyclo[13.6.2.12,5.04,9.018,22]tetracosa-1(22),2(24),4,15(23),16,18,20-heptaen-6-one
CID 90058814
tert-butyl 2-(3-fluoro-2-methylquinoxalin-5-yl)-7-[(Z)-3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-2-enyl]-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate
CID 90035484
(11E)-12,16-dimethyl-14-thia-3,7,17,23-tetrazapentacyclo[13.6.2.12,5.04,9.018,22]tetracosa-1(22),2(24),4,11,15(23),16,18,20-octaen-6-one
CID 144566506
N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide
CID 144566463
(9S)-17-methyl-3,7,15,18,24-pentazahexacyclo[14.6.2.12,5.112,14.04,9.019,23]hexacosa-1(23),2(26),4,11,16(24),17,19,21-octaen-6-one
CID 90058782

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of (7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 90035219) is (7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for (7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for (7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is C=CC[C@H]1CNC(=O)c2cc(-c3cccc4nc(C)c(F)nc34)[nH]c21.
What is the InChIKey of (7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is VOGQZMFSKYLAGD-NSHDSACASA-N. The full InChI is InChI=1S/C19H17FN4O/c1-3-5-11-9-21-19(25)13-8-15(23-16(11)13)12-6-4-7-14-17(12)24-18(20)10(2)22-14/h3-4,6-8,11,23H,1,5,9H2,2H3,(H,21,25)/t11-/m0/s1.
What are the key properties of (7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
(7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 336.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 90035219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).