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

C15H16FN5O2S — CID 53251174

IUPAC6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1,3-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESN[C@H]1COCC[C@H]1Nc1nc(-c2cncs2)c2c(c1F)CNC2=O
InChIInChI=1S/C15H16FN5O2S/c16-12-7-3-19-15(22)11(7)13(10-4-18-6-24-10)21-14(12)20-9-1-2-23-5-8(9)17/h4,6,8-9H,1-3,5,17H2,(H,19,22)(H,20,21)/t8-,9+/m0/s1
InChIKeyYOJNDLCTGCQRMX-DTWKUNHWSA-N
MW349.39 g/mol
LogP1.12
Rot. Bonds3

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

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1,3-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 53251174) has the molecular formula C15H16FN5O2S and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1,3-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1,3-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID53251174
Molecular FormulaC15H16FN5O2S
Molecular Weight349.39 g/mol
Exact Mass349.10
IUPAC Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1,3-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESN[C@H]1COCC[C@H]1Nc1nc(-c2cncs2)c2c(c1F)CNC2=O
InChIInChI=1S/C15H16FN5O2S/c16-12-7-3-19-15(22)11(7)13(10-4-18-6-24-10)21-14(12)20-9-1-2-23-5-8(9)17/h4,6,8-9H,1-3,5,17H2,(H,19,22)(H,20,21)/t8-,9+/m0/s1
InChIKeyYOJNDLCTGCQRMX-DTWKUNHWSA-N
XLogP1.12
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1,3-thiazol-5-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-(1,3-thiazol-5-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-(1,3-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 53251174) is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1,3-thiazol-5-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-(1,3-thiazol-5-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-(1,3-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is N[C@H]1COCC[C@H]1Nc1nc(-c2cncs2)c2c(c1F)CNC2=O.
What is the InChIKey of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1,3-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is YOJNDLCTGCQRMX-DTWKUNHWSA-N. The full InChI is InChI=1S/C15H16FN5O2S/c16-12-7-3-19-15(22)11(7)13(10-4-18-6-24-10)21-14(12)20-9-1-2-23-5-8(9)17/h4,6,8-9H,1-3,5,17H2,(H,19,22)(H,20,21)/t8-,9+/m0/s1.
What are the key properties of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1,3-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1,3-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 349.39 g/mol, XLogP of 1.12, 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-(1,3-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 53251174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).