azete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile

C29H29ClN6O — CID 134501365

IUPACazete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile
SMILESC1=CN=C1.Cc1cc(Cl)c(C2NC3=C(CNC=C3)N2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C26H26ClN5O.C3H3N/c1-16-12-22(27)21(25-30-23-6-9-29-15-24(23)31-25)13-20(16)26(33)32-10-7-19(8-11-32)18-4-2-17(14-28)3-5-18;1-2-4-3-1/h2-6,9,12-13,19,25,29-31H,7-8,10-11,15H2,1H3;1-3H
InChIKeyVOJZDRRRRWDLGA-UHFFFAOYSA-N
MW513.05 g/mol
LogP4.64
Rot. Bonds3

About azete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile

azete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile (PubChem CID 134501365) has the molecular formula C29H29ClN6O and a molecular weight of 513.05 g/mol. Its IUPAC name is azete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Nameazete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile
PubChem CID134501365
Molecular FormulaC29H29ClN6O
Molecular Weight513.05 g/mol
Exact Mass512.21
IUPAC Nameazete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile
SMILESC1=CN=C1.Cc1cc(Cl)c(C2NC3=C(CNC=C3)N2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C26H26ClN5O.C3H3N/c1-16-12-22(27)21(25-30-23-6-9-29-15-24(23)31-25)13-20(16)26(33)32-10-7-19(8-11-32)18-4-2-17(14-28)3-5-18;1-2-4-3-1/h2-6,9,12-13,19,25,29-31H,7-8,10-11,15H2,1H3;1-3H
InChIKeyVOJZDRRRRWDLGA-UHFFFAOYSA-N
XLogP4.64
TPSA92.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.05
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze azete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile with MolForge

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Related Compounds

4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 141349847
4-[1-(4-cyclobutyl-5-formyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 86672547
4-[1-[5-(1,5-dimethyl-3,4,6,7-tetrahydro-2H-imidazo[4,5-c]pyridin-2-yl)-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile
CID 139558157
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-N,4-dimethylbenzamide;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoic acid;methanamine
CID 158788228
4-[1-[5-(2-bromoacetyl)-4-cyclobutyl-2-methylbenzoyl]piperidin-4-yl]benzonitrile;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoyl chloride
CID 159745167
4-[1-[4-(3-aminocyclobutyl)-2-methyl-5-(3-methyl-2,3-dihydro-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile
CID 155312943
4-[1-[4-cyclopentyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl]benzonitrile;molecular hydrogen
CID 176574142
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoic acid;methanol;methyl 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoate
CID 157214542
4-[1-[4-chloro-3-(2,5-dimethyl-1H-imidazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile
CID 90030314
4-[1-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-pentan-3-ylbenzoyl]piperidin-4-yl]benzonitrile
CID 118260357
2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate
CID 24987425
4-[1-[3-(propan-2-ylamino)pyridazine-4-carbonyl]piperidin-4-yl]benzonitrile
CID 174712624

Frequently Asked Questions

What is the IUPAC name of azete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile?
The IUPAC name of azete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile (CID 134501365) is azete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile.
What is the SMILES notation for azete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile?
The canonical SMILES for azete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile is C1=CN=C1.Cc1cc(Cl)c(C2NC3=C(CNC=C3)N2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of azete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile?
The InChIKey is VOJZDRRRRWDLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O.C3H3N/c1-16-12-22(27)21(25-30-23-6-9-29-15-24(23)31-25)13-20(16)26(33)32-10-7-19(8-11-32)18-4-2-17(14-28)3-5-18;1-2-4-3-1/h2-6,9,12-13,19,25,29-31H,7-8,10-11,15H2,1H3;1-3H.
What are the key properties of azete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile?
azete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile has a molecular weight of 513.05 g/mol, XLogP of 4.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azete;4-[1-[4-chloro-2-methyl-5-(2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile is sourced from PubChem (CID 134501365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).