6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile

C25H23N5O — CID 171820231

IUPAC6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile
SMILESCc1ccc(OCc2ccccc2)c(C)c1-c1c(N)c(C#N)nc2c1ncn2C1CC1
InChIInChI=1S/C25H23N5O/c1-15-8-11-20(31-13-17-6-4-3-5-7-17)16(2)21(15)22-23(27)19(12-26)29-25-24(22)28-14-30(25)18-9-10-18/h3-8,11,14,18H,9-10,13,27H2,1-2H3
InChIKeyWCJDGFYGSJCITF-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.08
Rot. Bonds5

About 6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile

6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile (PubChem CID 171820231) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile
PubChem CID171820231
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile
SMILESCc1ccc(OCc2ccccc2)c(C)c1-c1c(N)c(C#N)nc2c1ncn2C1CC1
InChIInChI=1S/C25H23N5O/c1-15-8-11-20(31-13-17-6-4-3-5-7-17)16(2)21(15)22-23(27)19(12-26)29-25-24(22)28-14-30(25)18-9-10-18/h3-8,11,14,18H,9-10,13,27H2,1-2H3
InChIKeyWCJDGFYGSJCITF-UHFFFAOYSA-N
XLogP5.08
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile (CID 171820231) is 6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile is Cc1ccc(OCc2ccccc2)c(C)c1-c1c(N)c(C#N)nc2c1ncn2C1CC1.
What is the InChIKey of 6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile?
The InChIKey is WCJDGFYGSJCITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-15-8-11-20(31-13-17-6-4-3-5-7-17)16(2)21(15)22-23(27)19(12-26)29-25-24(22)28-14-30(25)18-9-10-18/h3-8,11,14,18H,9-10,13,27H2,1-2H3.
What are the key properties of 6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile?
6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile has a molecular weight of 409.49 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile is sourced from PubChem (CID 171820231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).