N-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C30H26FN5O3S — CID 44564591

IUPACN-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)n1cnc(-c2cc3nccc(Oc4ccc(NC(=O)C5CC(=O)N(c6ccccc6)C5)cc4F)c3s2)c1
InChIInChI=1S/C30H26FN5O3S/c1-18(2)35-16-24(33-17-35)27-14-23-29(40-27)26(10-11-32-23)39-25-9-8-20(13-22(25)31)34-30(38)19-12-28(37)36(15-19)21-6-4-3-5-7-21/h3-11,13-14,16-19H,12,15H2,1-2H3,(H,34,38)
InChIKeyKHJCRDAQJTVGIC-UHFFFAOYSA-N
MW555.64 g/mol
LogP6.66
Rot. Bonds7

About N-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 44564591) has the molecular formula C30H26FN5O3S and a molecular weight of 555.64 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID44564591
Molecular FormulaC30H26FN5O3S
Molecular Weight555.64 g/mol
Exact Mass555.17
IUPAC NameN-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)n1cnc(-c2cc3nccc(Oc4ccc(NC(=O)C5CC(=O)N(c6ccccc6)C5)cc4F)c3s2)c1
InChIInChI=1S/C30H26FN5O3S/c1-18(2)35-16-24(33-17-35)27-14-23-29(40-27)26(10-11-32-23)39-25-9-8-20(13-22(25)31)34-30(38)19-12-28(37)36(15-19)21-6-4-3-5-7-21/h3-11,13-14,16-19H,12,15H2,1-2H3,(H,34,38)
InChIKeyKHJCRDAQJTVGIC-UHFFFAOYSA-N
XLogP6.66
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.64
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
CID 24901704
3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 11713310
N-(4-(2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 16040363
3-(4-{[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thiourea
CID 24901705
3-(4-{[2-(1-ethyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thiourea
CID 24901706
1-Imidazolidinecarboxamide, N-[4-[[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxo-
CID 16040525
1,1-Cyclopropanedicarboxamide, N-[4-[[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy]-3-fluorophenyl]-N'-phenyl-
CID 16042707
N-(4-(2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-3-(2-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
CID 16040526
N-(4-(2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-3-(2-methoxyphenyl)-2-oxoimidazolidine-1-carboxamide
CID 16040527
N-(4-(2-(1-(2-(dimethylamino)ethyl)-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 16040697
N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 16040699
N1-(4-(2-(1-ethyl-1H-imidazole-4-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-(2-methoxyphenyl)malonamide
CID 16040870

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 44564591) is N-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CC(C)n1cnc(-c2cc3nccc(Oc4ccc(NC(=O)C5CC(=O)N(c6ccccc6)C5)cc4F)c3s2)c1.
What is the InChIKey of N-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is KHJCRDAQJTVGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O3S/c1-18(2)35-16-24(33-17-35)27-14-23-29(40-27)26(10-11-32-23)39-25-9-8-20(13-22(25)31)34-30(38)19-12-28(37)36(15-19)21-6-4-3-5-7-21/h3-11,13-14,16-19H,12,15H2,1-2H3,(H,34,38).
What are the key properties of N-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 555.64 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 44564591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).