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4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide

C28H28F4N2O4 — CID 123271054

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide
SMILESCOC1=C(OC2CC2)CCC(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C)C(F)(F)F)=C1
InChIInChI=1S/C28H28F4N2O4/c1-15-14-37-26-20(15)12-22(34-25(26)16-3-6-18(29)7-4-16)21(28(30,31)32)13-33-27(35)17-5-10-23(24(11-17)36-2)38-19-8-9-19/h3-4,6-7,11-12,15,19,21H,5,8-10,13-14H2,1-2H3,(H,33,35)
InChIKeyGEGCRAOGGKQCCO-UHFFFAOYSA-N
MW532.53 g/mol
LogP5.90
Rot. Bonds8

About 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide

4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide (PubChem CID 123271054) has the molecular formula C28H28F4N2O4 and a molecular weight of 532.53 g/mol. Its IUPAC name is 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide
PubChem CID123271054
Molecular FormulaC28H28F4N2O4
Molecular Weight532.53 g/mol
Exact Mass532.20
IUPAC Name4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide
SMILESCOC1=C(OC2CC2)CCC(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C)C(F)(F)F)=C1
InChIInChI=1S/C28H28F4N2O4/c1-15-14-37-26-20(15)12-22(34-25(26)16-3-6-18(29)7-4-16)21(28(30,31)32)13-33-27(35)17-5-10-23(24(11-17)36-2)38-19-8-9-19/h3-4,6-7,11-12,15,19,21H,5,8-10,13-14H2,1-2H3,(H,33,35)
InChIKeyGEGCRAOGGKQCCO-UHFFFAOYSA-N
XLogP5.90
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.53
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide (CID 123271054) is 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide is COC1=C(OC2CC2)CCC(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C)C(F)(F)F)=C1.
What is the InChIKey of 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is GEGCRAOGGKQCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F4N2O4/c1-15-14-37-26-20(15)12-22(34-25(26)16-3-6-18(29)7-4-16)21(28(30,31)32)13-33-27(35)17-5-10-23(24(11-17)36-2)38-19-8-9-19/h3-4,6-7,11-12,15,19,21H,5,8-10,13-14H2,1-2H3,(H,33,35).
What are the key properties of 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide?
4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 532.53 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 123271054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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