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

C24H23FN2O4S — CID 58474336

IUPAC1-cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
SMILESO=C(Cc1ccc(Oc2ccnc3cc(C(=O)N4CCOCC4)sc23)c(F)c1)CC1CC1
InChIInChI=1S/C24H23FN2O4S/c25-18-13-16(12-17(28)11-15-1-2-15)3-4-20(18)31-21-5-6-26-19-14-22(32-23(19)21)24(29)27-7-9-30-10-8-27/h3-6,13-15H,1-2,7-12H2
InChIKeyNEZKEDHRPHKOCJ-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.61
Rot. Bonds7

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

1-cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one (PubChem CID 58474336) has the molecular formula C24H23FN2O4S and a molecular weight of 454.52 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
PubChem CID58474336
Molecular FormulaC24H23FN2O4S
Molecular Weight454.52 g/mol
Exact Mass454.14
IUPAC Name1-cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
SMILESO=C(Cc1ccc(Oc2ccnc3cc(C(=O)N4CCOCC4)sc23)c(F)c1)CC1CC1
InChIInChI=1S/C24H23FN2O4S/c25-18-13-16(12-17(28)11-15-1-2-15)3-4-20(18)31-21-5-6-26-19-14-22(32-23(19)21)24(29)27-7-9-30-10-8-27/h3-6,13-15H,1-2,7-12H2
InChIKeyNEZKEDHRPHKOCJ-UHFFFAOYSA-N
XLogP4.61
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Thieno[3,2-b]pyridine-based inhibitor, 8d
CID 11533908
3-(3-Fluoro-4-{[2-(morpholin-4-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 11599241
Methyl 2-[3-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propylamino]acetate
CID 86290624
Methyl 2-[3-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 86290626
7-(4-Fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155515940
7-(4-Fluorophenyl)-2-[(6-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155551226
7-(4-Fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155564600
Methyl 7-[4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)-phenoxy]thieno[3,2-b]pyridine-2-carboxylate
CID 51041147
7-[4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]-N-(3-piperidin-1-ylpropyl)thieno[3,2-b]pyridine-2-carboxamide
CID 86290274
N-ethyl-7-(3-{[(2-fluoro-5-methylphenyl)amino]carbonyl}phenoxy)thieno[3,2-b]pyridine-2-carboxamide
CID 86290417
N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 86290418
Methyl {[3-({[7-(3-{[(2-fluoro-5-methylphenyl)amino]carbonyl}phenoxy)thieno[3,2-b]pyridin-2-yl]carbonyl}amino)propyl]amino}acetate
CID 86290461

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
The IUPAC name of 1-cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one (CID 58474336) is 1-cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-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-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
The canonical SMILES for 1-cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one is O=C(Cc1ccc(Oc2ccnc3cc(C(=O)N4CCOCC4)sc23)c(F)c1)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
The InChIKey is NEZKEDHRPHKOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4S/c25-18-13-16(12-17(28)11-15-1-2-15)3-4-20(18)31-21-5-6-26-19-14-22(32-23(19)21)24(29)27-7-9-30-10-8-27/h3-6,13-15H,1-2,7-12H2.
What are the key properties of 1-cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
1-cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one has a molecular weight of 454.52 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one is sourced from PubChem (CID 58474336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).