5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine

C70H69BClN11O4 — CID 160541265

IUPAC5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine
SMILESC.C.C1=C(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CCNC1.CB(O)N1CC=C(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.Clc1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2n1
InChIInChI=1S/C25H25BN4O2.C24H22N4O.C19H14ClN3O.2CH4/c1-26(31)30-15-13-19(14-16-30)22-11-12-23-25(27-22)29-24(28-23)20-7-9-21(10-8-20)32-17-18-5-3-2-4-6-18;1-2-4-17(5-3-1)16-29-20-8-6-19(7-9-20)23-27-22-11-10-21(26-24(22)28-23)18-12-14-25-15-13-18;20-17-11-10-16-19(22-17)23-18(21-16)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13;;/h2-13,31H,14-17H2,1H3,(H,27,28,29);1-12,25H,13-16H2,(H,26,27,28);1-11H,12H2,(H,21,22,23);2*1H4
InChIKeyQWUWZNNOFRBGDX-UHFFFAOYSA-N
MW1174.66 g/mol
LogP15.11
Rot. Bonds15

About 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine

5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 160541265) has the molecular formula C70H69BClN11O4 and a molecular weight of 1174.66 g/mol. Its IUPAC name is 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID160541265
Molecular FormulaC70H69BClN11O4
Molecular Weight1174.66 g/mol
Exact Mass1173.53
IUPAC Name5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine
SMILESC.C.C1=C(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CCNC1.CB(O)N1CC=C(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.Clc1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2n1
InChIInChI=1S/C25H25BN4O2.C24H22N4O.C19H14ClN3O.2CH4/c1-26(31)30-15-13-19(14-16-30)22-11-12-23-25(27-22)29-24(28-23)20-7-9-21(10-8-20)32-17-18-5-3-2-4-6-18;1-2-4-17(5-3-1)16-29-20-8-6-19(7-9-20)23-27-22-11-10-21(26-24(22)28-23)18-12-14-25-15-13-18;20-17-11-10-16-19(22-17)23-18(21-16)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13;;/h2-13,31H,14-17H2,1H3,(H,27,28,29);1-12,25H,13-16H2,(H,26,27,28);1-11H,12H2,(H,21,22,23);2*1H4
InChIKeyQWUWZNNOFRBGDX-UHFFFAOYSA-N
XLogP15.11
TPSA187.90 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001174.66
LogP ≤ 515.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

4-Mmimpimp
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2-[4-[3-chloro-4-[5-(N-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]phenoxy]phenyl]-N-propan-2-yl-1H-benzimidazole-5-carboximidamide
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2-(4-(benzyloxy)phenyl)-5-chloro-3H-imidazo[4,5-b]pyridine
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2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine
CID 90368193
N-benzyl-6-chloro-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 69720373
N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 87963064
4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 87963416
6-chloro-N-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-[4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177128
methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazin-1-yl]borinic acid
CID 140732458
methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid
CID 140732462
methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]borinic acid
CID 140732468

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine (CID 160541265) is 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine is C.C.C1=C(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CCNC1.CB(O)N1CC=C(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.Clc1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2n1.
What is the InChIKey of 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is QWUWZNNOFRBGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BN4O2.C24H22N4O.C19H14ClN3O.2CH4/c1-26(31)30-15-13-19(14-16-30)22-11-12-23-25(27-22)29-24(28-23)20-7-9-21(10-8-20)32-17-18-5-3-2-4-6-18;1-2-4-17(5-3-1)16-29-20-8-6-19(7-9-20)23-27-22-11-10-21(26-24(22)28-23)18-12-14-25-15-13-18;20-17-11-10-16-19(22-17)23-18(21-16)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13;;/h2-13,31H,14-17H2,1H3,(H,27,28,29);1-12,25H,13-16H2,(H,26,27,28);1-11H,12H2,(H,21,22,23);2*1H4.
What are the key properties of 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine?
5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 1174.66 g/mol, XLogP of 15.11, 15 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]borinic acid;2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 160541265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).