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

C21H24N6 — CID 90042446

IUPAC2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESc1ccc(-c2c3c(nc(C4CCCC4)c2-c2nn[nH]n2)CCCCC3)nc1
InChIInChI=1S/C21H24N6/c1-2-10-15-16(11-3-1)23-20(14-8-4-5-9-14)19(21-24-26-27-25-21)18(15)17-12-6-7-13-22-17/h6-7,12-14H,1-5,8-11H2,(H,24,25,26,27)
InChIKeySCDHGDXFTPQWLM-UHFFFAOYSA-N
MW360.47 g/mol
LogP4.25
Rot. Bonds3

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

2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (PubChem CID 90042446) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID90042446
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESc1ccc(-c2c3c(nc(C4CCCC4)c2-c2nn[nH]n2)CCCCC3)nc1
InChIInChI=1S/C21H24N6/c1-2-10-15-16(11-3-1)23-20(14-8-4-5-9-14)19(21-24-26-27-25-21)18(15)17-12-6-7-13-22-17/h6-7,12-14H,1-5,8-11H2,(H,24,25,26,27)
InChIKeySCDHGDXFTPQWLM-UHFFFAOYSA-N
XLogP4.25
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The IUPAC name of 2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (CID 90042446) is 2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.
What is the SMILES notation for 2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The canonical SMILES for 2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is c1ccc(-c2c3c(nc(C4CCCC4)c2-c2nn[nH]n2)CCCCC3)nc1.
What is the InChIKey of 2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The InChIKey is SCDHGDXFTPQWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-2-10-15-16(11-3-1)23-20(14-8-4-5-9-14)19(21-24-26-27-25-21)18(15)17-12-6-7-13-22-17/h6-7,12-14H,1-5,8-11H2,(H,24,25,26,27).
What are the key properties of 2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine has a molecular weight of 360.47 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 90042446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).