1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine

C24H30ClN7 — CID 647675

IUPAC1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine
SMILESCc1ccc(Cl)cc1N1CCN(C(c2cccnc2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C24H30ClN7/c1-18-9-10-20(25)16-22(18)30-12-14-31(15-13-30)23(19-6-5-11-26-17-19)24-27-28-29-32(24)21-7-3-2-4-8-21/h5-6,9-11,16-17,21,23H,2-4,7-8,12-15H2,1H3
InChIKeyXJYRYUOGCGZHDF-UHFFFAOYSA-N
MW452.01 g/mol
LogP4.45
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine

1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine (PubChem CID 647675) has the molecular formula C24H30ClN7 and a molecular weight of 452.01 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine
PubChem CID647675
Molecular FormulaC24H30ClN7
Molecular Weight452.01 g/mol
Exact Mass451.23
IUPAC Name1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine
SMILESCc1ccc(Cl)cc1N1CCN(C(c2cccnc2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C24H30ClN7/c1-18-9-10-20(25)16-22(18)30-12-14-31(15-13-30)23(19-6-5-11-26-17-19)24-27-28-29-32(24)21-7-3-2-4-8-21/h5-6,9-11,16-17,21,23H,2-4,7-8,12-15H2,1H3
InChIKeyXJYRYUOGCGZHDF-UHFFFAOYSA-N
XLogP4.45
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.01
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
PF-184563
CID 11237434
1-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-pyridin-3-yl-methyl}-4-(3-trifluoromethyl-phenyl)-piperazine
CID 3229211
N'-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]-N-(7-chloro-4-quinolyl)ethane-1,2-diamine
CID 72205601
N'-[(1-tert-butyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine
CID 72725671
1-[(1-Benzyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-4-cyclohexyl-piperazine
CID 652753
(13) 1H-1,2,4-triazol-3-yl-anilines 3-Cl-(C6H4) 4-Pyridine
CID 57339844
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-4-cyclohexyl-piperazine
CID 644767
1-[(1-Phenethyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-4-phenyl-piperazine
CID 644979
1-(5-Chloro-2-methyl-phenyl)-4-(1-cyclohexyl-1H-tetrazol-5-ylmethyl)-piperazine
CID 649196
(2-Chloro-benzyl)-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-pyridin-3-ylmethyl-amine
CID 650252
1-[(4-Chloro-phenyl)-(1-cyclopentyl-1H-tetrazol-5-yl)-methyl]-4-pyridin-4-ylmethyl-piperazine
CID 651959

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine (CID 647675) is 1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine is Cc1ccc(Cl)cc1N1CCN(C(c2cccnc2)c2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine?
The InChIKey is XJYRYUOGCGZHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN7/c1-18-9-10-20(25)16-22(18)30-12-14-31(15-13-30)23(19-6-5-11-26-17-19)24-27-28-29-32(24)21-7-3-2-4-8-21/h5-6,9-11,16-17,21,23H,2-4,7-8,12-15H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine?
1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine has a molecular weight of 452.01 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-[(1-cyclohexyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine is sourced from PubChem (CID 647675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).