[2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol

C23H23N5O2 — CID 174274371

IUPAC[2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol
SMILESCCc1nc(C)c(OC)c(-c2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c1CO
InChIInChI=1S/C23H23N5O2/c1-4-20-19(13-29)21(22(30-3)14(2)24-20)16-10-11-17(15-8-6-5-7-9-15)18(12-16)23-25-27-28-26-23/h5-12,29H,4,13H2,1-3H3,(H,25,26,27,28)
InChIKeyMCTUWAHSJDRAKM-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.97
Rot. Bonds6

About [2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol

[2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol (PubChem CID 174274371) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is [2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol
PubChem CID174274371
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name[2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol
SMILESCCc1nc(C)c(OC)c(-c2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c1CO
InChIInChI=1S/C23H23N5O2/c1-4-20-19(13-29)21(22(30-3)14(2)24-20)16-10-11-17(15-8-6-5-7-9-15)18(12-16)23-25-27-28-26-23/h5-12,29H,4,13H2,1-3H3,(H,25,26,27,28)
InChIKeyMCTUWAHSJDRAKM-UHFFFAOYSA-N
XLogP3.97
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol with MolForge

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Related Compounds

ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate
CID 174296805
3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine
CID 174271702
3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine
CID 151578231
4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine
CID 174388686
2-ethyl-6-methoxy-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57314307
[2-butyl-5-chloro-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol
CID 67680027
2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 57197947
ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate
CID 57246030
2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine
CID 57206384
[4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol
CID 22097659
2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57281004
[2-ethyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol
CID 15099516

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol?
The IUPAC name of [2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol (CID 174274371) is [2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol.
What is the SMILES notation for [2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol?
The canonical SMILES for [2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol is CCc1nc(C)c(OC)c(-c2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c1CO.
What is the InChIKey of [2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol?
The InChIKey is MCTUWAHSJDRAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-4-20-19(13-29)21(22(30-3)14(2)24-20)16-10-11-17(15-8-6-5-7-9-15)18(12-16)23-25-27-28-26-23/h5-12,29H,4,13H2,1-3H3,(H,25,26,27,28).
What are the key properties of [2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol?
[2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol has a molecular weight of 401.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol is sourced from PubChem (CID 174274371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).