7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide

C22H21FN2O3S — CID 58474362

IUPAC7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2nccc(Oc3ccc(CC(=O)CC4CC4)cc3F)c2s1
InChIInChI=1S/C22H21FN2O3S/c1-25(2)22(27)20-12-17-21(29-20)19(7-8-24-17)28-18-6-5-14(11-16(18)23)10-15(26)9-13-3-4-13/h5-8,11-13H,3-4,9-10H2,1-2H3
InChIKeyZZVQZECVLDAJRW-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.84
Rot. Bonds7

About 7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide

7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide (PubChem CID 58474362) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide
PubChem CID58474362
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2nccc(Oc3ccc(CC(=O)CC4CC4)cc3F)c2s1
InChIInChI=1S/C22H21FN2O3S/c1-25(2)22(27)20-12-17-21(29-20)19(7-8-24-17)28-18-6-5-14(11-16(18)23)10-15(26)9-13-3-4-13/h5-8,11-13H,3-4,9-10H2,1-2H3
InChIKeyZZVQZECVLDAJRW-UHFFFAOYSA-N
XLogP4.84
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide with MolForge

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Related Compounds

Thieno[3,2-b]pyridine-based inhibitor, 8a
CID 11518616
Thieno[3,2-b]pyridine-based inhibitor, 8d
CID 11533908
Thieno[3,2-b]pyridine-based inhibitor, 8b
CID 11540508
1-(4-(2-(Dimethylcarbamoyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-3-(2-phenylacetyl)thiourea
CID 11540724
3-(3-Fluoro-4-{[2-(pyrrolidin-1-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 11671030
Thieno[3,2-b]pyridine-based inhibitor, 6e
CID 24901702
3-[3-Fluoro-4-({2-[(4-methylpiperazin-1-yl)carbonyl]thieno[3,2-b]pyridin-7-yl}oxy)phenyl]-1-(2-phenylacetyl)thiourea
CID 24901703
N-(4-(2-(3-acetylphenyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 44564669
N1-(3-fluoro-4-(2-(pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N3-phenylmalonamide
CID 45488051
Ethyl 4-[({7-[3-fluoro-4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]thieno[3,2-b]pyridin-2-yl}carbonyl)amino]butanoate
CID 86290273
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

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide (CID 58474362) is 7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide is CN(C)C(=O)c1cc2nccc(Oc3ccc(CC(=O)CC4CC4)cc3F)c2s1.
What is the InChIKey of 7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is ZZVQZECVLDAJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-25(2)22(27)20-12-17-21(29-20)19(7-8-24-17)28-18-6-5-14(11-16(18)23)10-15(26)9-13-3-4-13/h5-8,11-13H,3-4,9-10H2,1-2H3.
What are the key properties of 7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide?
7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 58474362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).