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

C21H23N7O — CID 142607804

IUPACN-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCn1ncc2c1CCC(Nc1nc3c(-c4cncc(OC)c4)cccn3n1)C2
InChIInChI=1S/C21H23N7O/c1-3-27-19-7-6-16(9-15(19)12-23-27)24-21-25-20-18(5-4-8-28(20)26-21)14-10-17(29-2)13-22-11-14/h4-5,8,10-13,16H,3,6-7,9H2,1-2H3,(H,24,26)
InChIKeyVZUXGNJWSXEGLG-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.99
Rot. Bonds5

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

N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 142607804) 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-(5-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-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID142607804
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCn1ncc2c1CCC(Nc1nc3c(-c4cncc(OC)c4)cccn3n1)C2
InChIInChI=1S/C21H23N7O/c1-3-27-19-7-6-16(9-15(19)12-23-27)24-21-25-20-18(5-4-8-28(20)26-21)14-10-17(29-2)13-22-11-14/h4-5,8,10-13,16H,3,6-7,9H2,1-2H3,(H,24,26)
InChIKeyVZUXGNJWSXEGLG-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-(5-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-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 142607804) is N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(5-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-(5-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-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCn1ncc2c1CCC(Nc1nc3c(-c4cncc(OC)c4)cccn3n1)C2.
What is the InChIKey of N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is VZUXGNJWSXEGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-3-27-19-7-6-16(9-15(19)12-23-27)24-21-25-20-18(5-4-8-28(20)26-21)14-10-17(29-2)13-22-11-14/h4-5,8,10-13,16H,3,6-7,9H2,1-2H3,(H,24,26).
What are the key properties of N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(5-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-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 142607804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).