(2R)-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 58317568

IUPAC(2R)-2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
SMILESCC(C)C[C@@H](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)/t9-/m1/s1
InChIKeyOVAPNXCAPWCXDI-SECBINFHSA-N
MW363.42 g/mol
LogP1.90
Rot. Bonds6

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

(2R)-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 58317568) has the molecular formula C16H18FN5O2S and a molecular weight of 363.42 g/mol. Its IUPAC name is (2R)-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 Name(2R)-2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
PubChem CID58317568
Molecular FormulaC16H18FN5O2S
Molecular Weight363.42 g/mol
Exact Mass363.12
IUPAC Name(2R)-2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
SMILESCC(C)C[C@@H](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)/t9-/m1/s1
InChIKeyOVAPNXCAPWCXDI-SECBINFHSA-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

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

US20230295171, Example 105
CID 53251340
6-((1R,2S)-2-Aminocyclohexylamino)-7-fluoro-4-(thiophen-2-yl)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53251175
6-((3R,4R)-3-Aminotetrahydro-2H-pyran-4-ylamino)-7-fluoro-4-(3-methylisothiazol-5-yl)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53251178
US20230295171, Example 106
CID 53251339
US20230295171, Example 108
CID 53251342
US20230295171, Example 109
CID 58317613
US20230295171, Example 111
CID 58317624
(R)-2-(4-(5-Cyanothiophen-2-yl)-7-fluoro-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-ylamino)-4-methylpentanamide
CID 58317635
US20230295171, Example 110
CID 58317674
US20230295171, Example 117
CID 58317691
US20230295171, Example 126
CID 58317692
US20230295171, Example 118
CID 58317705

Frequently Asked Questions

What is the IUPAC name of (2R)-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 (2R)-2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide (CID 58317568) is (2R)-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 (2R)-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 (2R)-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)C[C@@H](Nc1nc(-c2ccns2)c2c(c1F)CNC2=O)C(N)=O.
What is the InChIKey of (2R)-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-SECBINFHSA-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)/t9-/m1/s1.
What are the key properties of (2R)-2-[[7-fluoro-3-oxo-4-(1,2-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
(2R)-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 (2R)-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 58317568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).