4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile

C30H30N6O — CID 70872278

IUPAC4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile
SMILESCc1cc(C)c(-c2nc3c(N4CCC4)nccc3[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C30H30N6O/c1-19-16-20(2)25(30(37)36-14-9-23(10-15-36)22-6-4-21(18-31)5-7-22)17-24(19)28-33-26-8-11-32-29(27(26)34-28)35-12-3-13-35/h4-8,11,16-17,23H,3,9-10,12-15H2,1-2H3,(H,33,34)
InChIKeyHMWFGDOEQQBZFP-UHFFFAOYSA-N
MW490.61 g/mol
LogP5.34
Rot. Bonds4

About 4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile

4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile (PubChem CID 70872278) has the molecular formula C30H30N6O and a molecular weight of 490.61 g/mol. Its IUPAC name is 4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile
PubChem CID70872278
Molecular FormulaC30H30N6O
Molecular Weight490.61 g/mol
Exact Mass490.25
IUPAC Name4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile
SMILESCc1cc(C)c(-c2nc3c(N4CCC4)nccc3[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C30H30N6O/c1-19-16-20(2)25(30(37)36-14-9-23(10-15-36)22-6-4-21(18-31)5-7-22)17-24(19)28-33-26-8-11-32-29(27(26)34-28)35-12-3-13-35/h4-8,11,16-17,23H,3,9-10,12-15H2,1-2H3,(H,33,34)
InChIKeyHMWFGDOEQQBZFP-UHFFFAOYSA-N
XLogP5.34
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile?
The IUPAC name of 4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile (CID 70872278) is 4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile?
The canonical SMILES for 4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile is Cc1cc(C)c(-c2nc3c(N4CCC4)nccc3[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile?
The InChIKey is HMWFGDOEQQBZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O/c1-19-16-20(2)25(30(37)36-14-9-23(10-15-36)22-6-4-21(18-31)5-7-22)17-24(19)28-33-26-8-11-32-29(27(26)34-28)35-12-3-13-35/h4-8,11,16-17,23H,3,9-10,12-15H2,1-2H3,(H,33,34).
What are the key properties of 4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile?
4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile has a molecular weight of 490.61 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-[4-(azetidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile is sourced from PubChem (CID 70872278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).