(3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one

C23H29F3N2O5 — CID 130192807

About (3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one

(3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one (PubChem CID 130192807) has the molecular formula C23H29F3N2O5 and a molecular weight of 470.49 g/mol. Its IUPAC name is (3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one.

Molecular Properties

• Compound Name: (3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one
• PubChem CID: 130192807
• Molecular Formula: C23H29F3N2O5
• Molecular Weight: 470.49 g/mol
• Exact Mass: 470.20
• IUPAC Name: (3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one
• SMILES: COCO[C@@]1(Cc2nccc3oc(CCC4CC4)cc23)C(=O)N(COC)[C@H]1CCC(F)(F)F
• InChI: InChI=1S/C23H29F3N2O5/c1-30-13-28-20(7-9-23(24,25)26)22(21(28)29,32-14-31-2)12-18-17-11-16(6-5-15-3-4-15)33-19(17)8-10-27-18/h8,10-11,15,20H,3-7,9,12-14H2,1-2H3/t20-,22+/m0/s1
• InChIKey: NTJOXWGOMBYRQR-RBBKRZOGSA-N
• XLogP: 4.23
• TPSA: 74.03 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.49
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one?

The IUPAC name of (3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one (CID 130192807) is (3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one.

What is the SMILES notation for (3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one?

The canonical SMILES for (3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one is COCO[C@@]1(Cc2nccc3oc(CCC4CC4)cc23)C(=O)N(COC)[C@H]1CCC(F)(F)F.

What is the InChIKey of (3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one?

The InChIKey is NTJOXWGOMBYRQR-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H29F3N2O5/c1-30-13-28-20(7-9-23(24,25)26)22(21(28)29,32-14-31-2)12-18-17-11-16(6-5-15-3-4-15)33-19(17)8-10-27-18/h8,10-11,15,20H,3-7,9,12-14H2,1-2H3/t20-,22+/m0/s1.

What are the key properties of (3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one?

(3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one has a molecular weight of 470.49 g/mol, XLogP of 4.23, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-3-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)-4-(3,3,3-trifluoropropyl)azetidin-2-one is sourced from PubChem (CID 130192807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).