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

C22H26N6 — CID 118589228

IUPAC2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESc1cc(-c2c3c(nc(C4CCCCC4)c2-c2nn[nH]n2)CCCCC3)ccn1
InChIInChI=1S/C22H26N6/c1-3-7-16(8-4-1)21-20(22-25-27-28-26-22)19(15-11-13-23-14-12-15)17-9-5-2-6-10-18(17)24-21/h11-14,16H,1-10H2,(H,25,26,27,28)
InChIKeyFMTDJMYDWZGVPK-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.64
Rot. Bonds3

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

2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (PubChem CID 118589228) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID118589228
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESc1cc(-c2c3c(nc(C4CCCCC4)c2-c2nn[nH]n2)CCCCC3)ccn1
InChIInChI=1S/C22H26N6/c1-3-7-16(8-4-1)21-20(22-25-27-28-26-22)19(15-11-13-23-14-12-15)17-9-5-2-6-10-18(17)24-21/h11-14,16H,1-10H2,(H,25,26,27,28)
InChIKeyFMTDJMYDWZGVPK-UHFFFAOYSA-N
XLogP4.64
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73294924
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-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline
CID 118589217
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
4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73296264
2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 118589255
2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043658
N,N-diethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-amine
CID 90042931
6-cyclopentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine
CID 71384619
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The IUPAC name of 2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (CID 118589228) is 2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.
What is the SMILES notation for 2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The canonical SMILES for 2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is c1cc(-c2c3c(nc(C4CCCCC4)c2-c2nn[nH]n2)CCCCC3)ccn1.
What is the InChIKey of 2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The InChIKey is FMTDJMYDWZGVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-3-7-16(8-4-1)21-20(22-25-27-28-26-22)19(15-11-13-23-14-12-15)17-9-5-2-6-10-18(17)24-21/h11-14,16H,1-10H2,(H,25,26,27,28).
What are the key properties of 2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine has a molecular weight of 374.49 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 118589228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).