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

C17H19FN4O3 — CID 53250835

IUPAC(2R)-2-[[7-fluoro-4-(furan-3-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
SMILESCC(C)C[C@@H](Nc1nc(-c2ccoc2)c2c(c1F)CNC2=O)C(N)=O
InChIInChI=1S/C17H19FN4O3/c1-8(2)5-11(15(19)23)21-16-13(18)10-6-20-17(24)12(10)14(22-16)9-3-4-25-7-9/h3-4,7-8,11H,5-6H2,1-2H3,(H2,19,23)(H,20,24)(H,21,22)/t11-/m1/s1
InChIKeyNTOQJLGNEKUUHL-LLVKDONJSA-N
MW346.36 g/mol
LogP2.04
Rot. Bonds6

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

(2R)-2-[[7-fluoro-4-(furan-3-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide (PubChem CID 53250835) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is (2R)-2-[[7-fluoro-4-(furan-3-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[[7-fluoro-4-(furan-3-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
PubChem CID53250835
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name(2R)-2-[[7-fluoro-4-(furan-3-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
SMILESCC(C)C[C@@H](Nc1nc(-c2ccoc2)c2c(c1F)CNC2=O)C(N)=O
InChIInChI=1S/C17H19FN4O3/c1-8(2)5-11(15(19)23)21-16-13(18)10-6-20-17(24)12(10)14(22-16)9-3-4-25-7-9/h3-4,7-8,11H,5-6H2,1-2H3,(H2,19,23)(H,20,24)(H,21,22)/t11-/m1/s1
InChIKeyNTOQJLGNEKUUHL-LLVKDONJSA-N
XLogP2.04
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-amino-N-(diaminomethylidene)-6-(furan-3-yl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 45270415
6-((1R,2S)-2-Aminocyclohexylamino)-4-(benzofuran-3-yl)-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53250214
US20230295171, Example 73
CID 53250522
US20230295171, Example 94
CID 58317539
(R)-2-(7-Fluoro-4-(furan-2-yl)-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-ylamino)-4-methylpentanamide
CID 58317542
US20230295171, Example 115
CID 58317699
trans-N-(4-{2-[4-(6-Methyl-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-2-(tetrahydro-pyran-4-yl)-acetamide
CID 67125771
2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 146344779
US20230322767, Example 115
CID 162687067
N-[2-(dimethylamino)ethyl]-4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carboxamide
CID 53007141
4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide
CID 53007146
N-(2-cyclohex-1-en-1-ylethyl)-4-[(4-fluorophenyl)amino]furo[3,2-c]pyridine-6-carboxamide
CID 53007148

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[7-fluoro-4-(furan-3-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[[7-fluoro-4-(furan-3-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide (CID 53250835) is (2R)-2-[[7-fluoro-4-(furan-3-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[[7-fluoro-4-(furan-3-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[[7-fluoro-4-(furan-3-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide is CC(C)C[C@@H](Nc1nc(-c2ccoc2)c2c(c1F)CNC2=O)C(N)=O.
What is the InChIKey of (2R)-2-[[7-fluoro-4-(furan-3-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The InChIKey is NTOQJLGNEKUUHL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-8(2)5-11(15(19)23)21-16-13(18)10-6-20-17(24)12(10)14(22-16)9-3-4-25-7-9/h3-4,7-8,11H,5-6H2,1-2H3,(H2,19,23)(H,20,24)(H,21,22)/t11-/m1/s1.
What are the key properties of (2R)-2-[[7-fluoro-4-(furan-3-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
(2R)-2-[[7-fluoro-4-(furan-3-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide has a molecular weight of 346.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[7-fluoro-4-(furan-3-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide is sourced from PubChem (CID 53250835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).