N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide

C17H16BrN5O3 — CID 169032827

IUPACN-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Br)n(C)c12
InChIInChI=1S/C17H16BrN5O3/c1-23-13-14(25-2)11(8-20-15(13)22-17(23)18)26-10-5-6-19-12(7-10)21-16(24)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,19,21,24)
InChIKeyHTNGUIMKPWFHAY-UHFFFAOYSA-N
MW418.25 g/mol
LogP3.28
Rot. Bonds5

About N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide

N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 169032827) has the molecular formula C17H16BrN5O3 and a molecular weight of 418.25 g/mol. Its IUPAC name is N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide
PubChem CID169032827
Molecular FormulaC17H16BrN5O3
Molecular Weight418.25 g/mol
Exact Mass417.04
IUPAC NameN-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Br)n(C)c12
InChIInChI=1S/C17H16BrN5O3/c1-23-13-14(25-2)11(8-20-15(13)22-17(23)18)26-10-5-6-19-12(7-10)21-16(24)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,19,21,24)
InChIKeyHTNGUIMKPWFHAY-UHFFFAOYSA-N
XLogP3.28
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
CID 167708068
N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
CID 168774382
5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one
CID 167599263
N-[4-[2-[[1-(2-hydroxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 168774417
N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 178122855
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162670779
1-(2-bromophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 175690442
N-[4-[2-[[2-hydroxy-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 167272640
1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide
CID 175690299
(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 56601558
N-[4-[7-chloro-2-[[2-hydroxy-1-(2-phenylmethoxyethyl)-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
CID 168880163
5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide
CID 58930818

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide (CID 169032827) is N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide is COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Br)n(C)c12.
What is the InChIKey of N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is HTNGUIMKPWFHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O3/c1-23-13-14(25-2)11(8-20-15(13)22-17(23)18)26-10-5-6-19-12(7-10)21-16(24)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,19,21,24).
What are the key properties of N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide?
N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 418.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 169032827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).