N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide

C21H12BrCl2F4N5O2 — CID 45137235

IUPACN-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc2[nH]c(Nc3c(Cl)cc(F)cc3Cl)nc2nc1OCC(F)(F)F
InChIInChI=1S/C21H12BrCl2F4N5O2/c22-9-1-3-11(4-2-9)29-18(34)12-7-15-17(32-19(12)35-8-21(26,27)28)33-20(30-15)31-16-13(23)5-10(25)6-14(16)24/h1-7H,8H2,(H,29,34)(H2,30,31,32,33)
InChIKeyDPWFXQAXBTUEBS-UHFFFAOYSA-N
MW593.16 g/mol
LogP7.10
Rot. Bonds6

About N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide

N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 45137235) has the molecular formula C21H12BrCl2F4N5O2 and a molecular weight of 593.16 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID45137235
Molecular FormulaC21H12BrCl2F4N5O2
Molecular Weight593.16 g/mol
Exact Mass590.95
IUPAC NameN-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc2[nH]c(Nc3c(Cl)cc(F)cc3Cl)nc2nc1OCC(F)(F)F
InChIInChI=1S/C21H12BrCl2F4N5O2/c22-9-1-3-11(4-2-9)29-18(34)12-7-15-17(32-19(12)35-8-21(26,27)28)33-20(30-15)31-16-13(23)5-10(25)6-14(16)24/h1-7H,8H2,(H,29,34)(H2,30,31,32,33)
InChIKeyDPWFXQAXBTUEBS-UHFFFAOYSA-N
XLogP7.10
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.16
LogP ≤ 57.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 45137376
2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 56836587
2-[2,6-dichloro-3-[[(2-cyclopropylacetyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 56836667
2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 67376068
N-(4-bromophenyl)-2-[(3,5-dichloro-3,4-dihydropyridin-4-yl)amino]-6-(2,2,2-trifluoroethoxy)-3H-benzimidazole-5-carboxamide
CID 90792506
(E)-4-cyclohexyl-1-[2-(2,6-dichloro-4-fluoroanilino)-5-(2-methoxyethoxy)-1H-imidazo[4,5-b]pyridin-6-yl]but-2-en-1-one
CID 91185579
2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-(difluoromethyl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)-3H-benzimidazole-5-carboxamide
CID 45254242
2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-3H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56968927
5-chloro-N-(3,5-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55741055
5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 34378925
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide
CID 86664892

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 45137235) is N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc2[nH]c(Nc3c(Cl)cc(F)cc3Cl)nc2nc1OCC(F)(F)F.
What is the InChIKey of N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is DPWFXQAXBTUEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12BrCl2F4N5O2/c22-9-1-3-11(4-2-9)29-18(34)12-7-15-17(32-19(12)35-8-21(26,27)28)33-20(30-15)31-16-13(23)5-10(25)6-14(16)24/h1-7H,8H2,(H,29,34)(H2,30,31,32,33).
What are the key properties of N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 593.16 g/mol, XLogP of 7.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 45137235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).