4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide

C28H25F4N3O4 — CID 156809834

IUPAC4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide
SMILESCOc1cc(C(=O)NC[C@H](c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@H]3C(F)(F)F)C2CC2)cc(C=O)c1N
InChIInChI=1S/C28H25F4N3O4/c1-38-23-9-16(8-17(12-36)24(23)33)27(37)34-11-20(14-2-3-14)22-10-19-21(28(30,31)32)13-39-26(19)25(35-22)15-4-6-18(29)7-5-15/h4-10,12,14,20-21H,2-3,11,13,33H2,1H3,(H,34,37)/t20-,21+/m0/s1
InChIKeyZSBDRIPUPMDOLO-LEWJYISDSA-N
MW543.52 g/mol
LogP5.25
Rot. Bonds8

About 4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide

4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide (PubChem CID 156809834) has the molecular formula C28H25F4N3O4 and a molecular weight of 543.52 g/mol. Its IUPAC name is 4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide
PubChem CID156809834
Molecular FormulaC28H25F4N3O4
Molecular Weight543.52 g/mol
Exact Mass543.18
IUPAC Name4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide
SMILESCOc1cc(C(=O)NC[C@H](c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@H]3C(F)(F)F)C2CC2)cc(C=O)c1N
InChIInChI=1S/C28H25F4N3O4/c1-38-23-9-16(8-17(12-36)24(23)33)27(37)34-11-20(14-2-3-14)22-10-19-21(28(30,31)32)13-39-26(19)25(35-22)15-4-6-18(29)7-5-15/h4-10,12,14,20-21H,2-3,11,13,33H2,1H3,(H,34,37)/t20-,21+/m0/s1
InChIKeyZSBDRIPUPMDOLO-LEWJYISDSA-N
XLogP5.25
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.52
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide?
The IUPAC name of 4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide (CID 156809834) is 4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide?
The canonical SMILES for 4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide is COc1cc(C(=O)NC[C@H](c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@H]3C(F)(F)F)C2CC2)cc(C=O)c1N.
What is the InChIKey of 4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide?
The InChIKey is ZSBDRIPUPMDOLO-LEWJYISDSA-N. The full InChI is InChI=1S/C28H25F4N3O4/c1-38-23-9-16(8-17(12-36)24(23)33)27(37)34-11-20(14-2-3-14)22-10-19-21(28(30,31)32)13-39-26(19)25(35-22)15-4-6-18(29)7-5-15/h4-10,12,14,20-21H,2-3,11,13,33H2,1H3,(H,34,37)/t20-,21+/m0/s1.
What are the key properties of 4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide?
4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide has a molecular weight of 543.52 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2R)-2-cyclopropyl-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-formyl-5-methoxybenzamide is sourced from PubChem (CID 156809834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).