5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C28H30N4O4 — CID 59590007

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)ccc1OCCN1CCCC1
InChIInChI=1S/C28H30N4O4/c1-33-25-17-20(7-9-23(25)34-14-13-31-11-2-3-12-31)18-27-29-28-6-4-5-22(32(28)30-27)21-8-10-24-26(19-21)36-16-15-35-24/h4-10,17,19H,2-3,11-16,18H2,1H3
InChIKeyHKMRHKAPCWEARE-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.24
Rot. Bonds8

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 59590007) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID59590007
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)ccc1OCCN1CCCC1
InChIInChI=1S/C28H30N4O4/c1-33-25-17-20(7-9-23(25)34-14-13-31-11-2-3-12-31)18-27-29-28-6-4-5-22(32(28)30-27)21-8-10-24-26(19-21)36-16-15-35-24/h4-10,17,19H,2-3,11-16,18H2,1H3
InChIKeyHKMRHKAPCWEARE-UHFFFAOYSA-N
XLogP4.24
TPSA70.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine 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

Triazolopyridazine, 18
CID 42647289
Methyl substituted pyrazole, 28
CID 23648676
Triazolopyridazine, 17
CID 44143459
N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
4-(2-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 16103238
4-(2-{4-[2-(Dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 16103245
Pyrazolo[1,5-a]-1,3,5-triazine, 12-42
CID 42618204
4-(3-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)phenol
CID 135547714
4-(3-{4-[2-(Dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)phenol
CID 135547715
4-(3-(3,4-Dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4906449
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3797260
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 6619702

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 59590007) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)ccc1OCCN1CCCC1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HKMRHKAPCWEARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-33-25-17-20(7-9-23(25)34-14-13-31-11-2-3-12-31)18-27-29-28-6-4-5-22(32(28)30-27)21-8-10-24-26(19-21)36-16-15-35-24/h4-10,17,19H,2-3,11-16,18H2,1H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 486.57 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 59590007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).