2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide

C30H32FN5O4S — CID 58474431

IUPAC2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide
SMILESCn1c(C(=O)NCCN2CCOCC2)cnc1-c1cc2nccc(Oc3ccc(CC(=O)CC4CC4)cc3F)c2s1
InChIInChI=1S/C30H32FN5O4S/c1-35-24(30(38)33-8-9-36-10-12-39-13-11-36)18-34-29(35)27-17-23-28(41-27)26(6-7-32-23)40-25-5-4-20(16-22(25)31)15-21(37)14-19-2-3-19/h4-7,16-19H,2-3,8-15H2,1H3,(H,33,38)
InChIKeyKBEGOCAGIAUWRE-UHFFFAOYSA-N
MW577.68 g/mol
LogP4.60
Rot. Bonds11

About 2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide

2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide (PubChem CID 58474431) has the molecular formula C30H32FN5O4S and a molecular weight of 577.68 g/mol. Its IUPAC name is 2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide
PubChem CID58474431
Molecular FormulaC30H32FN5O4S
Molecular Weight577.68 g/mol
Exact Mass577.22
IUPAC Name2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide
SMILESCn1c(C(=O)NCCN2CCOCC2)cnc1-c1cc2nccc(Oc3ccc(CC(=O)CC4CC4)cc3F)c2s1
InChIInChI=1S/C30H32FN5O4S/c1-35-24(30(38)33-8-9-36-10-12-39-13-11-36)18-34-29(35)27-17-23-28(41-27)26(6-7-32-23)40-25-5-4-20(16-22(25)31)15-21(37)14-19-2-3-19/h4-7,16-19H,2-3,8-15H2,1H3,(H,33,38)
InChIKeyKBEGOCAGIAUWRE-UHFFFAOYSA-N
XLogP4.60
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.68
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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
1-N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 16041065
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

Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide?
The IUPAC name of 2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide (CID 58474431) is 2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]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-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide?
The canonical SMILES for 2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide is Cn1c(C(=O)NCCN2CCOCC2)cnc1-c1cc2nccc(Oc3ccc(CC(=O)CC4CC4)cc3F)c2s1.
What is the InChIKey of 2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide?
The InChIKey is KBEGOCAGIAUWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O4S/c1-35-24(30(38)33-8-9-36-10-12-39-13-11-36)18-34-29(35)27-17-23-28(41-27)26(6-7-32-23)40-25-5-4-20(16-22(25)31)15-21(37)14-19-2-3-19/h4-7,16-19H,2-3,8-15H2,1H3,(H,33,38).
What are the key properties of 2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide?
2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide has a molecular weight of 577.68 g/mol, XLogP of 4.60, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide is sourced from PubChem (CID 58474431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).