3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol

C20H21N5O3 — CID 146042358

IUPAC3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol
SMILESCOc1cccc(OCc2nc(-c3ccn4nccc4c3)n(CCCO)n2)c1
InChIInChI=1S/C20H21N5O3/c1-27-17-4-2-5-18(13-17)28-14-19-22-20(25(23-19)9-3-11-26)15-7-10-24-16(12-15)6-8-21-24/h2,4-8,10,12-13,26H,3,9,11,14H2,1H3
InChIKeyPZHVZOWCOXMHRI-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.56
Rot. Bonds8

About 3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol

3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol (PubChem CID 146042358) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol
PubChem CID146042358
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol
SMILESCOc1cccc(OCc2nc(-c3ccn4nccc4c3)n(CCCO)n2)c1
InChIInChI=1S/C20H21N5O3/c1-27-17-4-2-5-18(13-17)28-14-19-22-20(25(23-19)9-3-11-26)15-7-10-24-16(12-15)6-8-21-24/h2,4-8,10,12-13,26H,3,9,11,14H2,1H3
InChIKeyPZHVZOWCOXMHRI-UHFFFAOYSA-N
XLogP2.56
TPSA86.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenoxy)methyl]-1-methyl-1,2,4-triazole
CID 72892764
3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol
CID 146041075
2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82149347
2-[3-[(3-chlorophenoxy)methyl]-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1,2,4-triazol-1-yl]ethanol
CID 131899456
methyl 2-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257668
7-[2-(2-hydroxyethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]-4H-1,4-benzoxazin-3-one
CID 72877617
[2-[(3-methoxyphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656141
2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol
CID 131892710
(3-methoxyphenoxy)methanol
CID 10442564
[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472128
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658
4-[(3-methoxyphenoxy)methyl]-11-methyl-12-phenyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19573304

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol (CID 146042358) is 3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol is COc1cccc(OCc2nc(-c3ccn4nccc4c3)n(CCCO)n2)c1.
What is the InChIKey of 3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol?
The InChIKey is PZHVZOWCOXMHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-27-17-4-2-5-18(13-17)28-14-19-22-20(25(23-19)9-3-11-26)15-7-10-24-16(12-15)6-8-21-24/h2,4-8,10,12-13,26H,3,9,11,14H2,1H3.
What are the key properties of 3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol?
3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol has a molecular weight of 379.42 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol is sourced from PubChem (CID 146042358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).