1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone

C19H23F2N3O3 — CID 123443174

IUPAC1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CC2COCC2C1
InChIInChI=1S/C19H23F2N3O3/c20-19(21)10-24(11-19)16-4-3-15(22-17(16)27-7-12-1-2-12)18(25)23-5-13-8-26-9-14(13)6-23/h3-4,12-14H,1-2,5-11H2
InChIKeyOZWRVBXQKWPWAA-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.04
Rot. Bonds5

About 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone

1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone (PubChem CID 123443174) has the molecular formula C19H23F2N3O3 and a molecular weight of 379.41 g/mol. Its IUPAC name is 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone
PubChem CID123443174
Molecular FormulaC19H23F2N3O3
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Name1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CC2COCC2C1
InChIInChI=1S/C19H23F2N3O3/c20-19(21)10-24(11-19)16-4-3-15(22-17(16)27-7-12-1-2-12)18(25)23-5-13-8-26-9-14(13)6-23/h3-4,12-14H,1-2,5-11H2
InChIKeyOZWRVBXQKWPWAA-UHFFFAOYSA-N
XLogP2.04
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone with MolForge

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Related Compounds

1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 130312677
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-(2-thia-6-azaspiro[3.3]heptan-6-yl)methanone
CID 144638507
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-[(4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 118451444
2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 162622488
6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid
CID 118418710
[(4R)-4-[amino(hydroxy)methyl]-1,3-thiazolidin-3-yl]-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone
CID 130312638
N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
CID 90204589
1-tert-butyl-1,3,3-trimethylurea;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204423
1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid
CID 154018976
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 71105626
2-(tert-butylamino)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204266
methyl 2-[[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]methyl]-4-methylpentanoate
CID 90202626

Frequently Asked Questions

What is the IUPAC name of 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone?
The IUPAC name of 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone (CID 123443174) is 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone is O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CC2COCC2C1.
What is the InChIKey of 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone?
The InChIKey is OZWRVBXQKWPWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O3/c20-19(21)10-24(11-19)16-4-3-15(22-17(16)27-7-12-1-2-12)18(25)23-5-13-8-26-9-14(13)6-23/h3-4,12-14H,1-2,5-11H2.
What are the key properties of 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone?
1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone has a molecular weight of 379.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 123443174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).