1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one

C23H21FN2O4S — CID 58474452

IUPAC1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
SMILESO=C(Cc1ccc(Oc2ccnc3cc(C(=O)N4CC(O)C4)sc23)c(F)c1)CC1CC1
InChIInChI=1S/C23H21FN2O4S/c24-17-9-14(8-15(27)7-13-1-2-13)3-4-19(17)30-20-5-6-25-18-10-21(31-22(18)20)23(29)26-11-16(28)12-26/h3-6,9-10,13,16,28H,1-2,7-8,11-12H2
InChIKeyMMBJLWYGUDBWNG-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.96
Rot. Bonds7

About 1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one

1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one (PubChem CID 58474452) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
PubChem CID58474452
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC Name1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
SMILESO=C(Cc1ccc(Oc2ccnc3cc(C(=O)N4CC(O)C4)sc23)c(F)c1)CC1CC1
InChIInChI=1S/C23H21FN2O4S/c24-17-9-14(8-15(27)7-13-1-2-13)3-4-19(17)30-20-5-6-25-18-10-21(31-22(18)20)23(29)26-11-16(28)12-26/h3-6,9-10,13,16,28H,1-2,7-8,11-12H2
InChIKeyMMBJLWYGUDBWNG-UHFFFAOYSA-N
XLogP3.96
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-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

N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 86290418
7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-(3-hydroxypropyl)thieno[3,2-b]pyridine-2-carboxamide
CID 86290929
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]thieno[3,2-b]pyridine-6-carboxamide
CID 72117221
5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 11213773
N1-(3-Fluoro-4-(2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N3-(2-methoxyphenyl)malonamide
CID 16041240
2-[3-fluoro-4-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide
CID 18456581
4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid
CID 58172935
2-[[7-[4-[3-(2-Fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid
CID 58172936
3-[[7-[3-Fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
CID 58172937
Methyl 7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate
CID 58172938
Methyl 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate
CID 58172940
Methyl 3-[[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
CID 58172941

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
The IUPAC name of 1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one (CID 58474452) is 1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
The canonical SMILES for 1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one is O=C(Cc1ccc(Oc2ccnc3cc(C(=O)N4CC(O)C4)sc23)c(F)c1)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
The InChIKey is MMBJLWYGUDBWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c24-17-9-14(8-15(27)7-13-1-2-13)3-4-19(17)30-20-5-6-25-18-10-21(31-22(18)20)23(29)26-11-16(28)12-26/h3-6,9-10,13,16,28H,1-2,7-8,11-12H2.
What are the key properties of 1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one has a molecular weight of 440.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one is sourced from PubChem (CID 58474452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).