1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione

C29H26FNO5 — CID 159855484

IUPAC1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione
SMILESCOc1cc(C(=O)CCC(=O)c2cc3c(C)coc3c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1
InChIInChI=1S/C29H26FNO5/c1-16-12-19(4-8-22(16)30)28-29-21(17(2)15-35-29)14-23(31-28)25(33)10-9-24(32)18-5-11-26(27(13-18)34-3)36-20-6-7-20/h4-5,8,11-15,20H,6-7,9-10H2,1-3H3
InChIKeyFPTNDBAZTZVGJG-UHFFFAOYSA-N
MW487.53 g/mol
LogP6.65
Rot. Bonds9

About 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione

1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione (PubChem CID 159855484) has the molecular formula C29H26FNO5 and a molecular weight of 487.53 g/mol. Its IUPAC name is 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione
PubChem CID159855484
Molecular FormulaC29H26FNO5
Molecular Weight487.53 g/mol
Exact Mass487.18
IUPAC Name1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione
SMILESCOc1cc(C(=O)CCC(=O)c2cc3c(C)coc3c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1
InChIInChI=1S/C29H26FNO5/c1-16-12-19(4-8-22(16)30)28-29-21(17(2)15-35-29)14-23(31-28)25(33)10-9-24(32)18-5-11-26(27(13-18)34-3)36-20-6-7-20/h4-5,8,11-15,20H,6-7,9-10H2,1-3H3
InChIKeyFPTNDBAZTZVGJG-UHFFFAOYSA-N
XLogP6.65
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.53
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one
CID 167707069
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione
CID 167601025
1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione
CID 160585883
(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one
CID 160784339
1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]butane-1,4-dione
CID 167552594
1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-nitrophenyl)butane-1,4-dione
CID 167664309
1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione
CID 167552786
1-[4-tert-butyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 167601027
N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide
CID 159264625
N-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]methanesulfonamide
CID 157122860
4-[4-(4-fluoro-3-methylphenyl)-5-methoxypyrimidin-2-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 162241747
(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one
CID 158950146

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione?
The IUPAC name of 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione (CID 159855484) is 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione is COc1cc(C(=O)CCC(=O)c2cc3c(C)coc3c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.
What is the InChIKey of 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione?
The InChIKey is FPTNDBAZTZVGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FNO5/c1-16-12-19(4-8-22(16)30)28-29-21(17(2)15-35-29)14-23(31-28)25(33)10-9-24(32)18-5-11-26(27(13-18)34-3)36-20-6-7-20/h4-5,8,11-15,20H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione?
1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione has a molecular weight of 487.53 g/mol, XLogP of 6.65, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione is sourced from PubChem (CID 159855484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).