2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

C22H25N5 — CID 73294924

IUPAC2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESc1ccc(-c2c3c(nc(C4CCCC4)c2-c2nn[nH]n2)CCCCC3)cc1
InChIInChI=1S/C22H25N5/c1-3-9-15(10-4-1)19-17-13-5-2-6-14-18(17)23-21(16-11-7-8-12-16)20(19)22-24-26-27-25-22/h1,3-4,9-10,16H,2,5-8,11-14H2,(H,24,25,26,27)
InChIKeyLFMQKGIKEQVNQY-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.86
Rot. Bonds3

About 2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (PubChem CID 73294924) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID73294924
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESc1ccc(-c2c3c(nc(C4CCCC4)c2-c2nn[nH]n2)CCCCC3)cc1
InChIInChI=1S/C22H25N5/c1-3-9-15(10-4-1)19-17-13-5-2-6-14-18(17)23-21(16-11-7-8-12-16)20(19)22-24-26-27-25-22/h1,3-4,9-10,16H,2,5-8,11-14H2,(H,24,25,26,27)
InChIKeyLFMQKGIKEQVNQY-UHFFFAOYSA-N
XLogP4.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine 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

2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 118589228
2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90042446
4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine
CID 90042917
2-tert-butyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043074
2-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen
CID 144576807
2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 118589255
2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline
CID 118589217
6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589089
4-(3-chlorophenyl)-2-[1-(methoxymethyl)cyclopentyl]-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043177
N,N-diethyl-4-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-amine
CID 73295944
4-(5-chlorothiophen-2-yl)-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73296266
4-(3-fluorophenyl)-2-hexan-3-yloxy-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 144576758

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The IUPAC name of 2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (CID 73294924) is 2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.
What is the SMILES notation for 2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The canonical SMILES for 2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is c1ccc(-c2c3c(nc(C4CCCC4)c2-c2nn[nH]n2)CCCCC3)cc1.
What is the InChIKey of 2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The InChIKey is LFMQKGIKEQVNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-3-9-15(10-4-1)19-17-13-5-2-6-14-18(17)23-21(16-11-7-8-12-16)20(19)22-24-26-27-25-22/h1,3-4,9-10,16H,2,5-8,11-14H2,(H,24,25,26,27).
What are the key properties of 2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine has a molecular weight of 359.48 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 73294924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).