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

C19H19FN6O2 — CID 58317546

IUPAC6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESN[C@H]1COCC[C@H]1Nc1nc(-c2cnn3ccccc23)c2c(c1F)CNC2=O
InChIInChI=1S/C19H19FN6O2/c20-16-11-7-22-19(27)15(11)17(10-8-23-26-5-2-1-3-14(10)26)25-18(16)24-13-4-6-28-9-12(13)21/h1-3,5,8,12-13H,4,6-7,9,21H2,(H,22,27)(H,24,25)/t12-,13+/m0/s1
InChIKeyQXAVMZBGVPCVJW-QWHCGFSZSA-N
MW382.40 g/mol
LogP1.31
Rot. Bonds3

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

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 58317546) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID58317546
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESN[C@H]1COCC[C@H]1Nc1nc(-c2cnn3ccccc23)c2c(c1F)CNC2=O
InChIInChI=1S/C19H19FN6O2/c20-16-11-7-22-19(27)15(11)17(10-8-23-26-5-2-1-3-14(10)26)25-18(16)24-13-4-6-28-9-12(13)21/h1-3,5,8,12-13H,4,6-7,9,21H2,(H,22,27)(H,24,25)/t12-,13+/m0/s1
InChIKeyQXAVMZBGVPCVJW-QWHCGFSZSA-N
XLogP1.31
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 58317546) is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is N[C@H]1COCC[C@H]1Nc1nc(-c2cnn3ccccc23)c2c(c1F)CNC2=O.
What is the InChIKey of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is QXAVMZBGVPCVJW-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H19FN6O2/c20-16-11-7-22-19(27)15(11)17(10-8-23-26-5-2-1-3-14(10)26)25-18(16)24-13-4-6-28-9-12(13)21/h1-3,5,8,12-13H,4,6-7,9,21H2,(H,22,27)(H,24,25)/t12-,13+/m0/s1.
What are the key properties of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 382.40 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 58317546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).