2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol

C15H22FN3O — CID 174180982

IUPAC2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol
SMILESCc1cc(N2CC3CNCC3C2)nc(C(C)(C)O)c1F
InChIInChI=1S/C15H22FN3O/c1-9-4-12(18-14(13(9)16)15(2,3)20)19-7-10-5-17-6-11(10)8-19/h4,10-11,17,20H,5-8H2,1-3H3
InChIKeyVNVAGUWOBQQSHH-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.41
Rot. Bonds2

About 2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol

2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol (PubChem CID 174180982) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol
PubChem CID174180982
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol
SMILESCc1cc(N2CC3CNCC3C2)nc(C(C)(C)O)c1F
InChIInChI=1S/C15H22FN3O/c1-9-4-12(18-14(13(9)16)15(2,3)20)19-7-10-5-17-6-11(10)8-19/h4,10-11,17,20H,5-8H2,1-3H3
InChIKeyVNVAGUWOBQQSHH-UHFFFAOYSA-N
XLogP1.41
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol 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

(3aS,6aR)-5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042499
5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107875138
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136989428
5-[4-(2-chloropropan-2-yl)-6-methylpyrimidin-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 174180968
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-fluoro-3-methyl-5-nitrophenyl)methanone
CID 103297748
7-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 60916273
5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210482
4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine
CID 178108093
(3aS)-5-(4-methylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 175383255
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]quinoxaline
CID 114042518
(3aR,6aS)-5-(5-bromo-4-fluoro-2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120714023
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-fluoro-2-methylphenyl)methanone
CID 66211217

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol (CID 174180982) is 2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol is Cc1cc(N2CC3CNCC3C2)nc(C(C)(C)O)c1F.
What is the InChIKey of 2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol?
The InChIKey is VNVAGUWOBQQSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-9-4-12(18-14(13(9)16)15(2,3)20)19-7-10-5-17-6-11(10)8-19/h4,10-11,17,20H,5-8H2,1-3H3.
What are the key properties of 2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol?
2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol has a molecular weight of 279.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-fluoro-4-methyl-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 174180982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).