2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide

C30H34FN5O4S — CID 58474325

IUPAC2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide
SMILESCC(C)CC(=O)Cc1ccc(Oc2ccnc3cc(-c4ncc(C(=O)NCCN5CCOCC5)n4C)sc23)c(F)c1
InChIInChI=1S/C30H34FN5O4S/c1-19(2)14-21(37)15-20-4-5-25(22(31)16-20)40-26-6-7-32-23-17-27(41-28(23)26)29-34-18-24(35(29)3)30(38)33-8-9-36-10-12-39-13-11-36/h4-7,16-19H,8-15H2,1-3H3,(H,33,38)
InChIKeyZMSQWIXFEXPRNO-UHFFFAOYSA-N
MW579.70 g/mol
LogP4.85
Rot. Bonds11

About 2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide

2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide (PubChem CID 58474325) has the molecular formula C30H34FN5O4S and a molecular weight of 579.70 g/mol. Its IUPAC name is 2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide
PubChem CID58474325
Molecular FormulaC30H34FN5O4S
Molecular Weight579.70 g/mol
Exact Mass579.23
IUPAC Name2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide
SMILESCC(C)CC(=O)Cc1ccc(Oc2ccnc3cc(-c4ncc(C(=O)NCCN5CCOCC5)n4C)sc23)c(F)c1
InChIInChI=1S/C30H34FN5O4S/c1-19(2)14-21(37)15-20-4-5-25(22(31)16-20)40-26-6-7-32-23-17-27(41-28(23)26)29-34-18-24(35(29)3)30(38)33-8-9-36-10-12-39-13-11-36/h4-7,16-19H,8-15H2,1-3H3,(H,33,38)
InChIKeyZMSQWIXFEXPRNO-UHFFFAOYSA-N
XLogP4.85
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.70
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide with MolForge

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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
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
N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamoyl)-2-phenylacetamide
CID 44565118
N1-(3-fluoro-4-(2-(1-methyl-1H-imidazole-4-carbonyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N3-phenylmalonamide
CID 45488044
N1-(4-(2-(1-ethyl-1H-imidazole-4-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-phenylmalonamide
CID 45488074
N1-(4-(2-(1-(2-(dimethylamino)ethyl)-1H-imidazole-4-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-phenylmalonamide
CID 45488075
2-(4-(7-(2-fluoro-4-(3-oxo-3-(phenylamino)propanamido)phenoxy)thieno[3,2-b]pyridine-2-carbonyl)-1H-imidazol-1-yl)acetic acid
CID 45488076
N1-(3-fluoro-4-(2-(1-methyl-1H-imidazole-2-carbonyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N3-phenylmalonamide
CID 45488085
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-2-(trifluoromethyl)pyrrole-3-carboxamide
CID 122179285
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 122186957

Frequently Asked Questions

What is the IUPAC name of 2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide?
The IUPAC name of 2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide (CID 58474325) is 2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide.
What is the SMILES notation for 2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide?
The canonical SMILES for 2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide is CC(C)CC(=O)Cc1ccc(Oc2ccnc3cc(-c4ncc(C(=O)NCCN5CCOCC5)n4C)sc23)c(F)c1.
What is the InChIKey of 2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide?
The InChIKey is ZMSQWIXFEXPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O4S/c1-19(2)14-21(37)15-20-4-5-25(22(31)16-20)40-26-6-7-32-23-17-27(41-28(23)26)29-34-18-24(35(29)3)30(38)33-8-9-36-10-12-39-13-11-36/h4-7,16-19H,8-15H2,1-3H3,(H,33,38).
What are the key properties of 2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide?
2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide has a molecular weight of 579.70 g/mol, XLogP of 4.85, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2-fluoro-4-(4-methyl-2-oxopentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide is sourced from PubChem (CID 58474325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).