methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride

C23H21ClF4N6O4 — CID 160581927

IUPACmethane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride
SMILESC.COC(=O)Nc1nc2ncc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2[nH]1.Cl
InChIInChI=1S/C22H16F4N6O4.CH4.ClH/c1-35-21(34)32-19-29-17-9-14(10-27-18(17)31-19)36-13-5-3-12(4-6-13)28-20(33)30-16-8-11(22(24,25)26)2-7-15(16)23;;/h2-10H,1H3,(H2,28,30,33)(H2,27,29,31,32,34);1H4;1H
InChIKeyRBVFFEHCCVTFOH-UHFFFAOYSA-N
MW556.90 g/mol
LogP6.79
Rot. Bonds5

About methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride

methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride (PubChem CID 160581927) has the molecular formula C23H21ClF4N6O4 and a molecular weight of 556.90 g/mol. Its IUPAC name is methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride.

Molecular Properties

Compound Namemethane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride
PubChem CID160581927
Molecular FormulaC23H21ClF4N6O4
Molecular Weight556.90 g/mol
Exact Mass556.12
IUPAC Namemethane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride
SMILESC.COC(=O)Nc1nc2ncc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2[nH]1.Cl
InChIInChI=1S/C22H16F4N6O4.CH4.ClH/c1-35-21(34)32-19-29-17-9-14(10-27-18(17)31-19)36-13-5-3-12(4-6-13)28-20(33)30-16-8-11(22(24,25)26)2-7-15(16)23;;/h2-10H,1H3,(H2,28,30,33)(H2,27,29,31,32,34);1H4;1H
InChIKeyRBVFFEHCCVTFOH-UHFFFAOYSA-N
XLogP6.79
TPSA130.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.90
LogP ≤ 56.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride 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

1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3H-benzimidazol-5-yl]oxy]phenyl]urea
CID 58905753
methanesulfonic acid;methyl N-[6-[[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-1H-benzimidazol-2-yl]carbamate
CID 87824817
N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide
CID 10166715
methyl N-[6-(3-fluorophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570477
methane;methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride
CID 161063717
N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]-N-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 91338214
methyl N-[6-[4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate;hydrochloride
CID 69412947
methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 57267188
methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 10117079
1-(3,4-difluorophenyl)-3-[5-[4-(trifluoromethyl)phenoxy]pyrimidin-2-yl]urea;ethane
CID 156724558
4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid
CID 22570496
1-[4-[2-amino-1-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylbenzimidazol-5-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 142144192

Frequently Asked Questions

What is the IUPAC name of methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride?
The IUPAC name of methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride (CID 160581927) is methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride.
What is the SMILES notation for methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride?
The canonical SMILES for methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride is C.COC(=O)Nc1nc2ncc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2[nH]1.Cl.
What is the InChIKey of methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride?
The InChIKey is RBVFFEHCCVTFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N6O4.CH4.ClH/c1-35-21(34)32-19-29-17-9-14(10-27-18(17)31-19)36-13-5-3-12(4-6-13)28-20(33)30-16-8-11(22(24,25)26)2-7-15(16)23;;/h2-10H,1H3,(H2,28,30,33)(H2,27,29,31,32,34);1H4;1H.
What are the key properties of methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride?
methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride has a molecular weight of 556.90 g/mol, XLogP of 6.79, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride is sourced from PubChem (CID 160581927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).