5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C26H29N5O3 — CID 90392618

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC1=CC(Nc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)=CC(OCCN2CCCC2)C1
InChIInChI=1S/C26H29N5O3/c1-2-12-30(11-1)13-14-32-21-6-3-5-20(18-21)27-26-28-25-8-4-7-22(31(25)29-26)19-9-10-23-24(17-19)34-16-15-33-23/h3-5,7-10,17-18,21H,1-2,6,11-16H2,(H,27,29)
InChIKeySWZNGYFZRXNYSR-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.90
Rot. Bonds7

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 90392618) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID90392618
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC1=CC(Nc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)=CC(OCCN2CCCC2)C1
InChIInChI=1S/C26H29N5O3/c1-2-12-30(11-1)13-14-32-21-6-3-5-20(18-21)27-26-28-25-8-4-7-22(31(25)29-26)19-9-10-23-24(17-19)34-16-15-33-23/h3-5,7-10,17-18,21H,1-2,6,11-16H2,(H,27,29)
InChIKeySWZNGYFZRXNYSR-UHFFFAOYSA-N
XLogP3.90
TPSA73.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589968
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42597961
1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]anilino]-2-pyrrolidin-1-ylpropan-1-ol
CID 126668187
3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)aniline
CID 59589955
N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589954
1-N-[2-(diethylamino)ethyl]-4-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzene-1,4-diamine
CID 70832470
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 68706149
5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589653
5-(3-aminophenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589844
2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenoxy]propanamide
CID 70832468
[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohexa-2,4-dien-1-yl] trifluoromethanesulfonate
CID 143787994
N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42597468

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 90392618) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is C1=CC(Nc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)=CC(OCCN2CCCC2)C1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is SWZNGYFZRXNYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-2-12-30(11-1)13-14-32-21-6-3-5-20(18-21)27-26-28-25-8-4-7-22(31(25)29-26)19-9-10-23-24(17-19)34-16-15-33-23/h3-5,7-10,17-18,21H,1-2,6,11-16H2,(H,27,29).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 459.55 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 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)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 90392618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).