1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide

C30H35FN4O4S — CID 58474762

IUPAC1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCN(C)CCNC(=O)C1CCCN(C(=O)c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)C1
InChIInChI=1S/C30H35FN4O4S/c1-34(2)13-11-33-29(37)21-4-3-12-35(18-21)30(38)27-17-24-28(40-27)26(9-10-32-24)39-25-8-7-20(16-23(25)31)15-22(36)14-19-5-6-19/h7-10,16-17,19,21H,3-6,11-15,18H2,1-2H3,(H,33,37)
InChIKeyQGTNRFCAKYKZTN-UHFFFAOYSA-N
MW566.70 g/mol
LogP4.67
Rot. Bonds11

About 1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide

1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide (PubChem CID 58474762) has the molecular formula C30H35FN4O4S and a molecular weight of 566.70 g/mol. Its IUPAC name is 1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
PubChem CID58474762
Molecular FormulaC30H35FN4O4S
Molecular Weight566.70 g/mol
Exact Mass566.24
IUPAC Name1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCN(C)CCNC(=O)C1CCCN(C(=O)c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)C1
InChIInChI=1S/C30H35FN4O4S/c1-34(2)13-11-33-29(37)21-4-3-12-35(18-21)30(38)27-17-24-28(40-27)26(9-10-32-24)39-25-8-7-20(16-23(25)31)15-22(36)14-19-5-6-19/h7-10,16-17,19,21H,3-6,11-15,18H2,1-2H3,(H,33,37)
InChIKeyQGTNRFCAKYKZTN-UHFFFAOYSA-N
XLogP4.67
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.70
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopropyl-3-[4-[2-(4-ethylpiperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one
CID 58474495
[1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]azetidin-3-yl] acetate
CID 58474710
1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 58474786
N-[[4-[2-[3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-phenylacetamide
CID 87541682
1-cyclohexyl-5-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]pentane-2,4-dione
CID 146784906
1-cyclopropyl-3-[3-fluoro-4-[2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 158339736
N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylacetamide
CID 58474344
N-[[3-fluoro-4-[2-(piperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide;hydrochloride
CID 86604167
[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 59424552
cyclobutanol;1-cyclopropyl-3-[4-[2-(5-ethyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one
CID 123318324
1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[4-[methyl(2-oxopropyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474433
1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474608

Frequently Asked Questions

What is the IUPAC name of 1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide (CID 58474762) is 1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide is CN(C)CCNC(=O)C1CCCN(C(=O)c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)C1.
What is the InChIKey of 1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is QGTNRFCAKYKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN4O4S/c1-34(2)13-11-33-29(37)21-4-3-12-35(18-21)30(38)27-17-24-28(40-27)26(9-10-32-24)39-25-8-7-20(16-23(25)31)15-22(36)14-19-5-6-19/h7-10,16-17,19,21H,3-6,11-15,18H2,1-2H3,(H,33,37).
What are the key properties of 1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 566.70 g/mol, XLogP of 4.67, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 58474762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).