5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile

C44H43BrN18O4 — CID 157365425

IUPAC5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
SMILESBrc1ccc(N2CCOCC2)nn1.Cc1cc(C#N)ncc1Oc1cc(N)c2ncn(C)c2n1.Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCOCC3)nn2)c2ncn(C)c2n1
InChIInChI=1S/C22H21N9O2.C14H12N6O.C8H10BrN3O/c1-14-9-15(11-23)24-12-17(14)33-20-10-16(21-22(27-20)30(2)13-25-21)26-18-3-4-19(29-28-18)31-5-7-32-8-6-31;1-8-3-9(5-15)17-6-11(8)21-12-4-10(16)13-14(19-12)20(2)7-18-13;9-7-1-2-8(11-10-7)12-3-5-13-6-4-12/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,26,27,28);3-4,6-7H,1-2H3,(H2,16,19);1-2H,3-6H2
InChIKeyBJCVFZXXRRBRBP-UHFFFAOYSA-N
MW967.85 g/mol
LogP5.70
Rot. Bonds8

About 5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile

5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (PubChem CID 157365425) has the molecular formula C44H43BrN18O4 and a molecular weight of 967.85 g/mol. Its IUPAC name is 5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
PubChem CID157365425
Molecular FormulaC44H43BrN18O4
Molecular Weight967.85 g/mol
Exact Mass966.29
IUPAC Name5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
SMILESBrc1ccc(N2CCOCC2)nn1.Cc1cc(C#N)ncc1Oc1cc(N)c2ncn(C)c2n1.Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCOCC3)nn2)c2ncn(C)c2n1
InChIInChI=1S/C22H21N9O2.C14H12N6O.C8H10BrN3O/c1-14-9-15(11-23)24-12-17(14)33-20-10-16(21-22(27-20)30(2)13-25-21)26-18-3-4-19(29-28-18)31-5-7-32-8-6-31;1-8-3-9(5-15)17-6-11(8)21-12-4-10(16)13-14(19-12)20(2)7-18-13;9-7-1-2-8(11-10-7)12-3-5-13-6-4-12/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,26,27,28);3-4,6-7H,1-2H3,(H2,16,19);1-2H,3-6H2
InChIKeyBJCVFZXXRRBRBP-UHFFFAOYSA-N
XLogP5.70
TPSA267.79 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500967.85
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

Tyk2-IN-14
CID 138560421
7-[[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-2-ethyl-N-(2-methoxyethyl)-1,5-naphthyridin-4-amine
CID 156304012
7-[5-[(6-Ethyl-8-morpholin-4-yl-1,5-naphthyridin-3-yl)oxymethyl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304073
5-[7-[(6-Aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
CID 138560233
4-Methyl-5-[3-methyl-7-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 138571373
4-methyl-5-[3-methyl-7-[[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 138571633
4-Methyl-5-[3-methyl-7-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 138571635
US10144734, Example 618
CID 134434881
US10144734, Example 667
CID 134436333
US10112942, Example 467
CID 134436483
US10112942, Example 466
CID 134436577
US10112942, Example 472
CID 134436634

Frequently Asked Questions

What is the IUPAC name of 5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (CID 157365425) is 5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is Brc1ccc(N2CCOCC2)nn1.Cc1cc(C#N)ncc1Oc1cc(N)c2ncn(C)c2n1.Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCOCC3)nn2)c2ncn(C)c2n1.
What is the InChIKey of 5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The InChIKey is BJCVFZXXRRBRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2.C14H12N6O.C8H10BrN3O/c1-14-9-15(11-23)24-12-17(14)33-20-10-16(21-22(27-20)30(2)13-25-21)26-18-3-4-19(29-28-18)31-5-7-32-8-6-31;1-8-3-9(5-15)17-6-11(8)21-12-4-10(16)13-14(19-12)20(2)7-18-13;9-7-1-2-8(11-10-7)12-3-5-13-6-4-12/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,26,27,28);3-4,6-7H,1-2H3,(H2,16,19);1-2H,3-6H2.
What are the key properties of 5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile has a molecular weight of 967.85 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-amino-3-methylimidazo[4,5-b]pyridin-5-yl)oxy-4-methylpyridine-2-carbonitrile;4-(6-bromopyridazin-3-yl)morpholine;4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 157365425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).