6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C19H20FN5O3 — CID 78033082

IUPAC6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESNC1COCCC1Nc1nc(-c2cc3n(c2)CCC3=O)c2c(c1F)CNC2=O
InChIInChI=1S/C19H20FN5O3/c20-16-10-6-22-19(27)15(10)17(9-5-13-14(26)1-3-25(13)7-9)24-18(16)23-12-2-4-28-8-11(12)21/h5,7,11-12H,1-4,6,8,21H2,(H,22,27)(H,23,24)
InChIKeyWFVWWVXKDKBVCG-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.05
Rot. Bonds3

About 6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 78033082) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is 6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID78033082
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESNC1COCCC1Nc1nc(-c2cc3n(c2)CCC3=O)c2c(c1F)CNC2=O
InChIInChI=1S/C19H20FN5O3/c20-16-10-6-22-19(27)15(10)17(9-5-13-14(26)1-3-25(13)7-9)24-18(16)23-12-2-4-28-8-11(12)21/h5,7,11-12H,1-4,6,8,21H2,(H,22,27)(H,23,24)
InChIKeyWFVWWVXKDKBVCG-UHFFFAOYSA-N
XLogP1.05
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one with MolForge

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Related Compounds

6-((3R,4R)-3-Aminotetrahydro-2H-pyran-4-ylamino)-7-fluoro-4-(pyrazolo[1,5-a]pyridin-3-yl)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 58317546
6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 118341352
4-[[6-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-3-pyridinyl]amino]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 122507128
2-[4-[[5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
CID 122507183
2-[4-[[6-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-3-pyridinyl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
CID 122507186
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 71143881
2-[6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-4-yl]indolizine-7-carbonitrile
CID 71143885
6-(((3R,4R)-3-Aminotetrahydro-2H-pyran-4-yl)amino)-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 71143898
tert-butyl 6-(((3R,4R)-3-((tert-butoxycarbonyl)amino)tetrahydro-2H-pyran-4-yl)amino)-7-fluoro-3-oxo-4-(1-oxo-2,3-dihydro-1H-pyrrolizin-6-yl)-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate
CID 71143904
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(7-fluoroindolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 71143980
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1-methylpyrrolo[1,2-a]imidazol-6-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 71164909
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1-methylpyrrolo[1,2-b]pyrazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 71164910

Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 78033082) is 6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is NC1COCCC1Nc1nc(-c2cc3n(c2)CCC3=O)c2c(c1F)CNC2=O.
What is the InChIKey of 6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is WFVWWVXKDKBVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c20-16-10-6-22-19(27)15(10)17(9-5-13-14(26)1-3-25(13)7-9)24-18(16)23-12-2-4-28-8-11(12)21/h5,7,11-12H,1-4,6,8,21H2,(H,22,27)(H,23,24).
What are the key properties of 6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 385.40 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 78033082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).