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

C16H18FN5O2S — CID 53250840

IUPAC2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
SMILESCC(C)CC(Nc1nc(-c2ccns2)c2c(c1F)CNC2=O)C(N)=O
InChIInChI=1S/C16H18FN5O2S/c1-7(2)5-9(14(18)23)21-15-12(17)8-6-19-16(24)11(8)13(22-15)10-3-4-20-25-10/h3-4,7,9H,5-6H2,1-2H3,(H2,18,23)(H,19,24)(H,21,22)
InChIKeyOVAPNXCAPWCXDI-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.90
Rot. Bonds6

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

2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide (PubChem CID 53250840) has the molecular formula C16H18FN5O2S and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
PubChem CID53250840
Molecular FormulaC16H18FN5O2S
Molecular Weight363.42 g/mol
Exact Mass363.12
IUPAC Name2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
SMILESCC(C)CC(Nc1nc(-c2ccns2)c2c(c1F)CNC2=O)C(N)=O
InChIInChI=1S/C16H18FN5O2S/c1-7(2)5-9(14(18)23)21-15-12(17)8-6-19-16(24)11(8)13(22-15)10-3-4-20-25-10/h3-4,7,9H,5-6H2,1-2H3,(H2,18,23)(H,19,24)(H,21,22)
InChIKeyOVAPNXCAPWCXDI-UHFFFAOYSA-N
XLogP1.90
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The IUPAC name of 2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide (CID 53250840) is 2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide.
What is the SMILES notation for 2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The canonical SMILES for 2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide is CC(C)CC(Nc1nc(-c2ccns2)c2c(c1F)CNC2=O)C(N)=O.
What is the InChIKey of 2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The InChIKey is OVAPNXCAPWCXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2S/c1-7(2)5-9(14(18)23)21-15-12(17)8-6-19-16(24)11(8)13(22-15)10-3-4-20-25-10/h3-4,7,9H,5-6H2,1-2H3,(H2,18,23)(H,19,24)(H,21,22).
What are the key properties of 2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide has a molecular weight of 363.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide is sourced from PubChem (CID 53250840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).