N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H23N7O — CID 142607769

IUPACN-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCn1ncc2c1CCC(Nc1nc3c(-c4cnccc4OC)cccn3n1)C2
InChIInChI=1S/C21H23N7O/c1-3-27-18-7-6-15(11-14(18)12-23-27)24-21-25-20-16(5-4-10-28(20)26-21)17-13-22-9-8-19(17)29-2/h4-5,8-10,12-13,15H,3,6-7,11H2,1-2H3,(H,24,26)
InChIKeyZPVUQEALFZYDMU-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.99
Rot. Bonds5

About N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 142607769) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID142607769
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCn1ncc2c1CCC(Nc1nc3c(-c4cnccc4OC)cccn3n1)C2
InChIInChI=1S/C21H23N7O/c1-3-27-18-7-6-15(11-14(18)12-23-27)24-21-25-20-16(5-4-10-28(20)26-21)17-13-22-9-8-19(17)29-2/h4-5,8-10,12-13,15H,3,6-7,11H2,1-2H3,(H,24,26)
InChIKeyZPVUQEALFZYDMU-UHFFFAOYSA-N
XLogP2.99
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 142607769) is N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCn1ncc2c1CCC(Nc1nc3c(-c4cnccc4OC)cccn3n1)C2.
What is the InChIKey of N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ZPVUQEALFZYDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-3-27-18-7-6-15(11-14(18)12-23-27)24-21-25-20-16(5-4-10-28(20)26-21)17-13-22-9-8-19(17)29-2/h4-5,8-10,12-13,15H,3,6-7,11H2,1-2H3,(H,24,26).
What are the key properties of N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 389.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 142607769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).