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

C21H13BrCl2F3N5O2 — CID 45137376

IUPACN-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc2[nH]c(Nc3c(Cl)cc(F)cc3Cl)nc2nc1OCC(F)F
InChIInChI=1S/C21H13BrCl2F3N5O2/c22-9-1-3-11(4-2-9)28-19(33)12-7-15-18(31-20(12)34-8-16(26)27)32-21(29-15)30-17-13(23)5-10(25)6-14(17)24/h1-7,16H,8H2,(H,28,33)(H2,29,30,31,32)
InChIKeyHVHWPAZLEBGLIC-UHFFFAOYSA-N
MW575.17 g/mol
LogP6.81
Rot. Bonds7

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

N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 45137376) has the molecular formula C21H13BrCl2F3N5O2 and a molecular weight of 575.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID45137376
Molecular FormulaC21H13BrCl2F3N5O2
Molecular Weight575.17 g/mol
Exact Mass572.96
IUPAC NameN-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc2[nH]c(Nc3c(Cl)cc(F)cc3Cl)nc2nc1OCC(F)F
InChIInChI=1S/C21H13BrCl2F3N5O2/c22-9-1-3-11(4-2-9)28-19(33)12-7-15-18(31-20(12)34-8-16(26)27)32-21(29-15)30-17-13(23)5-10(25)6-14(17)24/h1-7,16H,8H2,(H,28,33)(H2,29,30,31,32)
InChIKeyHVHWPAZLEBGLIC-UHFFFAOYSA-N
XLogP6.81
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.17
LogP ≤ 56.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 45137235
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
5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide
CID 86664892
2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 88573739
(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-[2,6-dichloro-3-[[(1-methylcyclopropanecarbonyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 88565930
2-[2,6-dichloro-3-[(3,3,3-trifluoropropanoylamino)methyl]anilino]-5-(2,2-difluoroethoxy)-N-[[4-(trifluoromethyl)cyclohexylidene]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 123315072
N-(4-bromophenyl)-5-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]-2-(2,2-difluoroethoxy)pyridine-3-carboxamide
CID 86658672
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
5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 88573748
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 45137376) is N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-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-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-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.
What is the InChIKey of N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is HVHWPAZLEBGLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrCl2F3N5O2/c22-9-1-3-11(4-2-9)28-19(33)12-7-15-18(31-20(12)34-8-16(26)27)32-21(29-15)30-17-13(23)5-10(25)6-14(17)24/h1-7,16H,8H2,(H,28,33)(H2,29,30,31,32).
What are the key properties of N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 575.17 g/mol, XLogP of 6.81, 7 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-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 45137376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).