N-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide

C27H22N6O3S — CID 58790305

IUPACN-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4)c3s2)c1
InChIInChI=1S/C27H22N6O3S/c1-31-16-22(29-17-31)24-15-21-25(37-24)23(11-12-28-21)36-20-9-7-18(8-10-20)30-26(34)33-14-13-32(27(33)35)19-5-3-2-4-6-19/h2-12,15-17H,13-14H2,1H3,(H,30,34)
InChIKeyGVTVMFBDKQPZTQ-UHFFFAOYSA-N
MW510.58 g/mol
LogP5.96
Rot. Bonds5

About N-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide

N-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (PubChem CID 58790305) has the molecular formula C27H22N6O3S and a molecular weight of 510.58 g/mol. Its IUPAC name is N-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
PubChem CID58790305
Molecular FormulaC27H22N6O3S
Molecular Weight510.58 g/mol
Exact Mass510.15
IUPAC NameN-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4)c3s2)c1
InChIInChI=1S/C27H22N6O3S/c1-31-16-22(29-17-31)24-15-21-25(37-24)23(11-12-28-21)36-20-9-7-18(8-10-20)30-26(34)33-14-13-32(27(33)35)19-5-3-2-4-6-19/h2-12,15-17H,13-14H2,1H3,(H,30,34)
InChIKeyGVTVMFBDKQPZTQ-UHFFFAOYSA-N
XLogP5.96
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.58
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44565221
CID 88576712
CID 88576712
N-[4-[2-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 25055100
5-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one
CID 167549652
tert-butyl N-[[6-[7-[2-fluoro-4-[(2-oxo-3-phenylimidazolidine-1-carbonyl)amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
CID 71027919
N-[3-fluoro-4-[2-[4-[(2-methylperoxysulfanylethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 59684966
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
CID 155779673
N'-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N'-methyl-N-phenylpropanediamide
CID 123817965
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 45483444
1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-3-phenylimidazolidin-2-one
CID 158131673
4,4,4-trifluoro-3-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyanilino]-N-(4-fluorophenyl)butanamide
CID 25054601
1-[1-[2-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone
CID 159461841

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The IUPAC name of N-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (CID 58790305) is N-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for N-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The canonical SMILES for N-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4)c3s2)c1.
What is the InChIKey of N-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The InChIKey is GVTVMFBDKQPZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O3S/c1-31-16-22(29-17-31)24-15-21-25(37-24)23(11-12-28-21)36-20-9-7-18(8-10-20)30-26(34)33-14-13-32(27(33)35)19-5-3-2-4-6-19/h2-12,15-17H,13-14H2,1H3,(H,30,34).
What are the key properties of N-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
N-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide has a molecular weight of 510.58 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 58790305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).