1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine

C27H29N5 — CID 170690844

IUPAC1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine
SMILESCc1cc(CCCCCN2CN(c3ccccc3)c3ncc(-c4ccccc4)cc32)n[nH]1
InChIInChI=1S/C27H29N5/c1-21-17-24(30-29-21)13-7-4-10-16-31-20-32(25-14-8-3-9-15-25)27-26(31)18-23(19-28-27)22-11-5-2-6-12-22/h2-3,5-6,8-9,11-12,14-15,17-19H,4,7,10,13,16,20H2,1H3,(H,29,30)
InChIKeyHUFZFKAYNKGLLQ-UHFFFAOYSA-N
MW423.56 g/mol
LogP6.11
Rot. Bonds8

About 1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine

1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine (PubChem CID 170690844) has the molecular formula C27H29N5 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine
PubChem CID170690844
Molecular FormulaC27H29N5
Molecular Weight423.56 g/mol
Exact Mass423.24
IUPAC Name1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine
SMILESCc1cc(CCCCCN2CN(c3ccccc3)c3ncc(-c4ccccc4)cc32)n[nH]1
InChIInChI=1S/C27H29N5/c1-21-17-24(30-29-21)13-7-4-10-16-31-20-32(25-14-8-3-9-15-25)27-26(31)18-23(19-28-27)22-11-5-2-6-12-22/h2-3,5-6,8-9,11-12,14-15,17-19H,4,7,10,13,16,20H2,1H3,(H,29,30)
InChIKeyHUFZFKAYNKGLLQ-UHFFFAOYSA-N
XLogP6.11
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine?
The IUPAC name of 1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine (CID 170690844) is 1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for 1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine is Cc1cc(CCCCCN2CN(c3ccccc3)c3ncc(-c4ccccc4)cc32)n[nH]1.
What is the InChIKey of 1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine?
The InChIKey is HUFZFKAYNKGLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5/c1-21-17-24(30-29-21)13-7-4-10-16-31-20-32(25-14-8-3-9-15-25)27-26(31)18-23(19-28-27)22-11-5-2-6-12-22/h2-3,5-6,8-9,11-12,14-15,17-19H,4,7,10,13,16,20H2,1H3,(H,29,30).
What are the key properties of 1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine?
1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine has a molecular weight of 423.56 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 170690844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).