2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline

C24H24N6O — CID 3229154

IUPAC2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(Cn2nnnc2C(c2ccccn2)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C24H24N6O/c1-31-21-11-9-18(10-12-21)16-30-24(26-27-28-30)23(22-8-4-5-14-25-22)29-15-13-19-6-2-3-7-20(19)17-29/h2-12,14,23H,13,15-17H2,1H3
InChIKeyODUKHJRSORAGIY-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.27
Rot. Bonds6

About 2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline

2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 3229154) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID3229154
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(Cn2nnnc2C(c2ccccn2)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C24H24N6O/c1-31-21-11-9-18(10-12-21)16-30-24(26-27-28-30)23(22-8-4-5-14-25-22)29-15-13-19-6-2-3-7-20(19)17-29/h2-12,14,23H,13,15-17H2,1H3
InChIKeyODUKHJRSORAGIY-UHFFFAOYSA-N
XLogP3.27
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]azepane
CID 3229271
1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]azepane
CID 1437502
2-[(2,5-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 3201669
2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 3201650
2-[(S)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1433685
1-[(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole
CID 3229108
1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole
CID 1435448
7-[3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3183577
2-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 171668025
1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
CID 1433890
1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
CID 1433889
2-[4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 6557850

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline (CID 3229154) is 2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline is COc1ccc(Cn2nnnc2C(c2ccccn2)N2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is ODUKHJRSORAGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-31-21-11-9-18(10-12-21)16-30-24(26-27-28-30)23(22-8-4-5-14-25-22)29-15-13-19-6-2-3-7-20(19)17-29/h2-12,14,23H,13,15-17H2,1H3.
What are the key properties of 2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline?
2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 412.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 3229154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).