2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

C23H28N6 — CID 90042132

IUPAC2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESCc1cc(-c2c3c(nc(C4(C)CCCC4)c2-c2nn[nH]n2)CCCCC3)ccn1
InChIInChI=1S/C23H28N6/c1-15-14-16(10-13-24-15)19-17-8-4-3-5-9-18(17)25-21(23(2)11-6-7-12-23)20(19)22-26-28-29-27-22/h10,13-14H,3-9,11-12H2,1-2H3,(H,26,27,28,29)
InChIKeyUBYPSJXNOOGWGK-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.73
Rot. Bonds3

About 2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (PubChem CID 90042132) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID90042132
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESCc1cc(-c2c3c(nc(C4(C)CCCC4)c2-c2nn[nH]n2)CCCCC3)ccn1
InChIInChI=1S/C23H28N6/c1-15-14-16(10-13-24-15)19-17-8-4-3-5-9-18(17)25-21(23(2)11-6-7-12-23)20(19)22-26-28-29-27-22/h10,13-14H,3-9,11-12H2,1-2H3,(H,26,27,28,29)
InChIKeyUBYPSJXNOOGWGK-UHFFFAOYSA-N
XLogP4.73
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The IUPAC name of 2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (CID 90042132) is 2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.
What is the SMILES notation for 2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The canonical SMILES for 2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is Cc1cc(-c2c3c(nc(C4(C)CCCC4)c2-c2nn[nH]n2)CCCCC3)ccn1.
What is the InChIKey of 2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The InChIKey is UBYPSJXNOOGWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-15-14-16(10-13-24-15)19-17-8-4-3-5-9-18(17)25-21(23(2)11-6-7-12-23)20(19)22-26-28-29-27-22/h10,13-14H,3-9,11-12H2,1-2H3,(H,26,27,28,29).
What are the key properties of 2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine has a molecular weight of 388.52 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopentyl)-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 90042132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).