6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine

C26H29N9 — CID 143492117

IUPAC6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(-c3ccc(Cn4cccn4)cc3)[nH]c2c1N1CCN(Cc2cncn2C)CC1
InChIInChI=1S/C26H29N9/c1-19-14-28-26-23(24(19)34-12-10-33(11-13-34)17-22-15-27-18-32(22)2)30-25(31-26)21-6-4-20(5-7-21)16-35-9-3-8-29-35/h3-9,14-15,18H,10-13,16-17H2,1-2H3,(H,28,30,31)
InChIKeyVCNFFMNGTZXOFZ-UHFFFAOYSA-N
MW467.58 g/mol
LogP3.23
Rot. Bonds6

About 6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine

6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 143492117) has the molecular formula C26H29N9 and a molecular weight of 467.58 g/mol. Its IUPAC name is 6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID143492117
Molecular FormulaC26H29N9
Molecular Weight467.58 g/mol
Exact Mass467.25
IUPAC Name6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(-c3ccc(Cn4cccn4)cc3)[nH]c2c1N1CCN(Cc2cncn2C)CC1
InChIInChI=1S/C26H29N9/c1-19-14-28-26-23(24(19)34-12-10-33(11-13-34)17-22-15-27-18-32(22)2)30-25(31-26)21-6-4-20(5-7-21)16-35-9-3-8-29-35/h3-9,14-15,18H,10-13,16-17H2,1-2H3,(H,28,30,31)
InChIKeyVCNFFMNGTZXOFZ-UHFFFAOYSA-N
XLogP3.23
TPSA83.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-methyl-2-[4-(piperazin-1-ylmethyl)phenyl]-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
CID 163993247
6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
CID 25151030
6-bromo-7-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-2-[4-(piperazin-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 25152568
4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]piperazine-1-carboxylic acid
CID 69175652
2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine
CID 141173667
2-[4-[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 46868083
1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 51035448
tert-butyl 4-[4-[6-chloro-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazine-1-carboxylate
CID 69175635
2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide
CID 46868504
2-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol
CID 25151591
3-[[4-[6-chloro-2-[3-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 72705940
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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine (CID 143492117) is 6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine is Cc1cnc2nc(-c3ccc(Cn4cccn4)cc3)[nH]c2c1N1CCN(Cc2cncn2C)CC1.
What is the InChIKey of 6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is VCNFFMNGTZXOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9/c1-19-14-28-26-23(24(19)34-12-10-33(11-13-34)17-22-15-27-18-32(22)2)30-25(31-26)21-6-4-20(5-7-21)16-35-9-3-8-29-35/h3-9,14-15,18H,10-13,16-17H2,1-2H3,(H,28,30,31).
What are the key properties of 6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 467.58 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 143492117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).