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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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).