N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide

C24H26FN3O3S — CID 24983344

IUPACN-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide
SMILESCCN(CC)CC#Cc1cc2nccc(Oc3ccc(NC(=O)CCOC)cc3F)c2s1
InChIInChI=1S/C24H26FN3O3S/c1-4-28(5-2)13-6-7-18-16-20-24(32-18)22(10-12-26-20)31-21-9-8-17(15-19(21)25)27-23(29)11-14-30-3/h8-10,12,15-16H,4-5,11,13-14H2,1-3H3,(H,27,29)
InChIKeyPBPATZBSWLDSSY-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.90
Rot. Bonds9

About N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide

N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide (PubChem CID 24983344) has the molecular formula C24H26FN3O3S and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide
PubChem CID24983344
Molecular FormulaC24H26FN3O3S
Molecular Weight455.56 g/mol
Exact Mass455.17
IUPAC NameN-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide
SMILESCCN(CC)CC#Cc1cc2nccc(Oc3ccc(NC(=O)CCOC)cc3F)c2s1
InChIInChI=1S/C24H26FN3O3S/c1-4-28(5-2)13-6-7-18-16-20-24(32-18)22(10-12-26-20)31-21-9-8-17(15-19(21)25)27-23(29)11-14-30-3/h8-10,12,15-16H,4-5,11,13-14H2,1-3H3,(H,27,29)
InChIKeyPBPATZBSWLDSSY-UHFFFAOYSA-N
XLogP4.90
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-phenylpropanamide
CID 24983322
N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]benzamide
CID 24983345
N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 24983388
N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 24983367
3-chloro-N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]benzenesulfonamide
CID 24983421
4-[2-[4-(diethylamino)but-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline
CID 67348637
N-tert-butyl-4-[[4-[2-[3-(ethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]sulfamoyl]benzamide
CID 71098033
tert-butyl 4-[3-[7-[4-[(1-carbamoylcyclopropanecarbonyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]prop-2-ynyl]piperidine-1-carboxylate
CID 67349366
N-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-oxobutanamide
CID 126590262
N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide
CID 126590416
1-[4-[2-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methylthiourea
CID 143455237
1-N'-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 67349886

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide?
The IUPAC name of N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide (CID 24983344) is N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide.
What is the SMILES notation for N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide?
The canonical SMILES for N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide is CCN(CC)CC#Cc1cc2nccc(Oc3ccc(NC(=O)CCOC)cc3F)c2s1.
What is the InChIKey of N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide?
The InChIKey is PBPATZBSWLDSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3S/c1-4-28(5-2)13-6-7-18-16-20-24(32-18)22(10-12-26-20)31-21-9-8-17(15-19(21)25)27-23(29)11-14-30-3/h8-10,12,15-16H,4-5,11,13-14H2,1-3H3,(H,27,29).
What are the key properties of N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide?
N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide has a molecular weight of 455.56 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-methoxypropanamide is sourced from PubChem (CID 24983344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).