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

C22H27N5O — CID 144576807

IUPAC2-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen
SMILESCC1(c2nc3c(c(-c4ccccc4)c2-c2nn[nH]n2)CCCCC3)CCCO1.[H][H]
InChIInChI=1S/C22H25N5O.H2/c1-22(13-8-14-28-22)20-19(21-24-26-27-25-21)18(15-9-4-2-5-10-15)16-11-6-3-7-12-17(16)23-20;/h2,4-5,9-10H,3,6-8,11-14H2,1H3,(H,24,25,26,27);1H
InChIKeyXTOPPKSYJFGVKY-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.47
Rot. Bonds3

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

2-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen (PubChem CID 144576807) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen.

Molecular Properties

Compound Name2-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen
PubChem CID144576807
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen
SMILESCC1(c2nc3c(c(-c4ccccc4)c2-c2nn[nH]n2)CCCCC3)CCCO1.[H][H]
InChIInChI=1S/C22H25N5O.H2/c1-22(13-8-14-28-22)20-19(21-24-26-27-25-21)18(15-9-4-2-5-10-15)16-11-6-3-7-12-17(16)23-20;/h2,4-5,9-10H,3,6-8,11-14H2,1H3,(H,24,25,26,27);1H
InChIKeyXTOPPKSYJFGVKY-UHFFFAOYSA-N
XLogP4.47
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,6-dimethyl-2-[(2R)-2-methyloxolan-2-yl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589089
2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 118589255
2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 90042826
2-tert-butyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043074
2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73294924
6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589186
4-(3-chlorophenyl)-2-[1-(methoxymethyl)cyclopentyl]-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043177
4-(4-fluoro-3-methoxyphenyl)-2-[(2S)-2-(methoxymethyl)oxolan-2-yl]-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 118589098
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
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-(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-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen?
The IUPAC name of 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) is 2-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen.
What is the SMILES notation for 2-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen?
The canonical SMILES for 2-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen is CC1(c2nc3c(c(-c4ccccc4)c2-c2nn[nH]n2)CCCCC3)CCCO1.[H][H].
What is the InChIKey of 2-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen?
The InChIKey is XTOPPKSYJFGVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O.H2/c1-22(13-8-14-28-22)20-19(21-24-26-27-25-21)18(15-9-4-2-5-10-15)16-11-6-3-7-12-17(16)23-20;/h2,4-5,9-10H,3,6-8,11-14H2,1H3,(H,24,25,26,27);1H.
What are the key properties of 2-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen?
2-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen has a molecular weight of 377.49 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-2-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;molecular hydrogen is sourced from PubChem (CID 144576807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).