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

C18H23FN6O2 — CID 53251341

IUPAC(2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide
SMILESCNC(=O)[C@@H](CC(C)C)Nc1nc(-c2cnn(C)c2)c2c(c1F)CNC2=O
InChIInChI=1S/C18H23FN6O2/c1-9(2)5-12(17(26)20-3)23-16-14(19)11-7-21-18(27)13(11)15(24-16)10-6-22-25(4)8-10/h6,8-9,12H,5,7H2,1-4H3,(H,20,26)(H,21,27)(H,23,24)/t12-/m1/s1
InChIKeyORFPWEPWRPUBLL-GFCCVEGCSA-N
MW374.42 g/mol
LogP1.44
Rot. Bonds6

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

(2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide (PubChem CID 53251341) has the molecular formula C18H23FN6O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide
PubChem CID53251341
Molecular FormulaC18H23FN6O2
Molecular Weight374.42 g/mol
Exact Mass374.19
IUPAC Name(2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide
SMILESCNC(=O)[C@@H](CC(C)C)Nc1nc(-c2cnn(C)c2)c2c(c1F)CNC2=O
InChIInChI=1S/C18H23FN6O2/c1-9(2)5-12(17(26)20-3)23-16-14(19)11-7-21-18(27)13(11)15(24-16)10-6-22-25(4)8-10/h6,8-9,12H,5,7H2,1-4H3,(H,20,26)(H,21,27)(H,23,24)/t12-/m1/s1
InChIKeyORFPWEPWRPUBLL-GFCCVEGCSA-N
XLogP1.44
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide?
The IUPAC name of (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide (CID 53251341) is (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide.
What is the SMILES notation for (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide is CNC(=O)[C@@H](CC(C)C)Nc1nc(-c2cnn(C)c2)c2c(c1F)CNC2=O.
What is the InChIKey of (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide?
The InChIKey is ORFPWEPWRPUBLL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23FN6O2/c1-9(2)5-12(17(26)20-3)23-16-14(19)11-7-21-18(27)13(11)15(24-16)10-6-22-25(4)8-10/h6,8-9,12H,5,7H2,1-4H3,(H,20,26)(H,21,27)(H,23,24)/t12-/m1/s1.
What are the key properties of (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide?
(2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide has a molecular weight of 374.42 g/mol, XLogP of 1.44, 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-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-N,4-dimethylpentanamide is sourced from PubChem (CID 53251341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).