(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone

C14H18FN3O — CID 104639319

IUPAC(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone
SMILESCC1(C)C2CNCC2CN1C(=O)c1ccc(F)cn1
InChIInChI=1S/C14H18FN3O/c1-14(2)11-7-16-5-9(11)8-18(14)13(19)12-4-3-10(15)6-17-12/h3-4,6,9,11,16H,5,7-8H2,1-2H3
InChIKeyJQCMINARBNOVFT-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.29
Rot. Bonds1

About (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone

(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone (PubChem CID 104639319) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone
PubChem CID104639319
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone
SMILESCC1(C)C2CNCC2CN1C(=O)c1ccc(F)cn1
InChIInChI=1S/C14H18FN3O/c1-14(2)11-7-16-5-9(11)8-18(14)13(19)12-4-3-10(15)6-17-12/h3-4,6,9,11,16H,5,7-8H2,1-2H3
InChIKeyJQCMINARBNOVFT-UHFFFAOYSA-N
XLogP1.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone with MolForge

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Related Compounds

5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-methylpyridine-2-carboxamide
CID 166021938
1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 2542487
N-[(1R)-1-cyclohexylethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 16110299
N-[(1S)-1-cyclohexylethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 16110304
N-[2-[(4-fluorobenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2986306
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2986895
N-{1-[(cyclopentylamino)carbonyl]-1-methylpropyl}-N-methylpyridine-2-carboxamide
CID 3515437
1-methyl-N-(4-methylcyclohexyl)-2-pyrrolecarboxamide
CID 25161651
1-Methyl-1H-pyrrole-2-carboxylic acid 4-fluoro-benzylamide
CID 11085643
1H-Pyrrole-2-carboxylic acid cyclohexylmethyl-amide
CID 11127444
(Hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(pyridin-4-yl)methanone
CID 24945296
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 42606574

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone (CID 104639319) is (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone is CC1(C)C2CNCC2CN1C(=O)c1ccc(F)cn1.
What is the InChIKey of (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is JQCMINARBNOVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-14(2)11-7-16-5-9(11)8-18(14)13(19)12-4-3-10(15)6-17-12/h3-4,6,9,11,16H,5,7-8H2,1-2H3.
What are the key properties of (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone?
(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 263.32 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 104639319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).