5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile

C24H19BrN4 — CID 19422675

IUPAC5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile
SMILESCc1c(Br)cnc2c1nc(C1CC1)n2Cc1ccc(-c2ccccc2)c(C#N)c1
InChIInChI=1S/C24H19BrN4/c1-15-21(25)13-27-24-22(15)28-23(18-8-9-18)29(24)14-16-7-10-20(19(11-16)12-26)17-5-3-2-4-6-17/h2-7,10-11,13,18H,8-9,14H2,1H3
InChIKeyIDTSNIFABCSOJY-UHFFFAOYSA-N
MW443.35 g/mol
LogP5.97
Rot. Bonds4

About 5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile

5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile (PubChem CID 19422675) has the molecular formula C24H19BrN4 and a molecular weight of 443.35 g/mol. Its IUPAC name is 5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile.

Molecular Properties

Compound Name5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile
PubChem CID19422675
Molecular FormulaC24H19BrN4
Molecular Weight443.35 g/mol
Exact Mass442.08
IUPAC Name5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile
SMILESCc1c(Br)cnc2c1nc(C1CC1)n2Cc1ccc(-c2ccccc2)c(C#N)c1
InChIInChI=1S/C24H19BrN4/c1-15-21(25)13-27-24-22(15)28-23(18-8-9-18)29(24)14-16-7-10-20(19(11-16)12-26)17-5-3-2-4-6-17/h2-7,10-11,13,18H,8-9,14H2,1H3
InChIKeyIDTSNIFABCSOJY-UHFFFAOYSA-N
XLogP5.97
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.35
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile?
The IUPAC name of 5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile (CID 19422675) is 5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile.
What is the SMILES notation for 5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile?
The canonical SMILES for 5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile is Cc1c(Br)cnc2c1nc(C1CC1)n2Cc1ccc(-c2ccccc2)c(C#N)c1.
What is the InChIKey of 5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile?
The InChIKey is IDTSNIFABCSOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN4/c1-15-21(25)13-27-24-22(15)28-23(18-8-9-18)29(24)14-16-7-10-20(19(11-16)12-26)17-5-3-2-4-6-17/h2-7,10-11,13,18H,8-9,14H2,1H3.
What are the key properties of 5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile?
5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile has a molecular weight of 443.35 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile is sourced from PubChem (CID 19422675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).