N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C29H20F4N6O2S — CID 122179290

IUPACN-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(Oc2ccnc3cc(-c4cn(C)cn4)sc23)c(F)c1
InChIInChI=1S/C29H20F4N6O2S/c1-37-15-22(35-16-37)25-13-21-26(42-25)24(10-11-34-21)41-23-9-8-18(12-20(23)30)38(2)28(40)19-14-36-39(27(19)29(31,32)33)17-6-4-3-5-7-17/h3-16H,1-2H3
InChIKeyIUTCFJHADZKYIN-UHFFFAOYSA-N
MW592.58 g/mol
LogP7.11
Rot. Bonds6

About N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 122179290) has the molecular formula C29H20F4N6O2S and a molecular weight of 592.58 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID122179290
Molecular FormulaC29H20F4N6O2S
Molecular Weight592.58 g/mol
Exact Mass592.13
IUPAC NameN-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(Oc2ccnc3cc(-c4cn(C)cn4)sc23)c(F)c1
InChIInChI=1S/C29H20F4N6O2S/c1-37-15-22(35-16-37)25-13-21-26(42-25)24(10-11-34-21)41-23-9-8-18(12-20(23)30)38(2)28(40)19-14-36-39(27(19)29(31,32)33)17-6-4-3-5-7-17/h3-16H,1-2H3
InChIKeyIUTCFJHADZKYIN-UHFFFAOYSA-N
XLogP7.11
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.58
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122179289
N'-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N'-methyl-N-phenylpropanediamide
CID 123817965
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
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
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
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
N'-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-methyl-N'-phenylpropanediamide
CID 56952158
2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl-methylcarbamic acid
CID 68693816
tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate
CID 91355190
N-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 58790305
5-[4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one
CID 167549652
N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-oxo-2-phenylpyridazine-4-carboxamide;hydrochloride
CID 139513300

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 122179290) is N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CN(C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(Oc2ccnc3cc(-c4cn(C)cn4)sc23)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is IUTCFJHADZKYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F4N6O2S/c1-37-15-22(35-16-37)25-13-21-26(42-25)24(10-11-34-21)41-23-9-8-18(12-20(23)30)38(2)28(40)19-14-36-39(27(19)29(31,32)33)17-6-4-3-5-7-17/h3-16H,1-2H3.
What are the key properties of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 592.58 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 122179290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).