4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one

C28H25ClFNO5 — CID 167707069

IUPAC4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one
SMILESCOc1cc(C(=O)CCC(O)c2cc3c(C)coc3c(-c3ccc(F)c(Cl)c3)n2)ccc1OC1CC1
InChIInChI=1S/C28H25ClFNO5/c1-15-14-35-28-19(15)13-22(31-27(28)17-3-7-21(30)20(29)11-17)24(33)9-8-23(32)16-4-10-25(26(12-16)34-2)36-18-5-6-18/h3-4,7,10-14,18,24,33H,5-6,8-9H2,1-2H3
InChIKeyOCVKMQPVGJQKPE-UHFFFAOYSA-N
MW509.96 g/mol
LogP6.84
Rot. Bonds9

About 4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one

4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one (PubChem CID 167707069) has the molecular formula C28H25ClFNO5 and a molecular weight of 509.96 g/mol. Its IUPAC name is 4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one
PubChem CID167707069
Molecular FormulaC28H25ClFNO5
Molecular Weight509.96 g/mol
Exact Mass509.14
IUPAC Name4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one
SMILESCOc1cc(C(=O)CCC(O)c2cc3c(C)coc3c(-c3ccc(F)c(Cl)c3)n2)ccc1OC1CC1
InChIInChI=1S/C28H25ClFNO5/c1-15-14-35-28-19(15)13-22(31-27(28)17-3-7-21(30)20(29)11-17)24(33)9-8-23(32)16-4-10-25(26(12-16)34-2)36-18-5-6-18/h3-4,7,10-14,18,24,33H,5-6,8-9H2,1-2H3
InChIKeyOCVKMQPVGJQKPE-UHFFFAOYSA-N
XLogP6.84
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.96
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

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
1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one
CID 159246010
2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]pyridine-4-carboxamide
CID 159152793
4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one
CID 160551131
4-[4-(aminomethyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one
CID 146758647
methyl 2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 158359122
4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-1-[4-(1,1-difluoroethoxy)-3-methoxyphenyl]-4-hydroxybutan-1-one
CID 158390301
N-[2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 166667153
(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
N-[(2S)-2-[7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 156809845
1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 159935094
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-hydroxypropyl]-4-(2,2-difluorocyclopropyl)oxy-3-methoxybenzamide
CID 134323449

Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one?
The IUPAC name of 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) is 4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one.
What is the SMILES notation for 4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one?
The canonical SMILES for 4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one is COc1cc(C(=O)CCC(O)c2cc3c(C)coc3c(-c3ccc(F)c(Cl)c3)n2)ccc1OC1CC1.
What is the InChIKey of 4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one?
The InChIKey is OCVKMQPVGJQKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClFNO5/c1-15-14-35-28-19(15)13-22(31-27(28)17-3-7-21(30)20(29)11-17)24(33)9-8-23(32)16-4-10-25(26(12-16)34-2)36-18-5-6-18/h3-4,7,10-14,18,24,33H,5-6,8-9H2,1-2H3.
What are the key properties of 4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one?
4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one has a molecular weight of 509.96 g/mol, XLogP of 6.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one is sourced from PubChem (CID 167707069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).