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

C20H20ClN7 — CID 142607816

IUPAC8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCn1ncc2c1CCC(Nc1nc3c(-c4cncc(Cl)c4)cccn3n1)C2
InChIInChI=1S/C20H20ClN7/c1-2-27-18-6-5-16(9-14(18)11-23-27)24-20-25-19-17(4-3-7-28(19)26-20)13-8-15(21)12-22-10-13/h3-4,7-8,10-12,16H,2,5-6,9H2,1H3,(H,24,26)
InChIKeyYYGKOOZHHBFTGY-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.63
Rot. Bonds4

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

8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 142607816) has the molecular formula C20H20ClN7 and a molecular weight of 393.88 g/mol. Its IUPAC name is 8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID142607816
Molecular FormulaC20H20ClN7
Molecular Weight393.88 g/mol
Exact Mass393.15
IUPAC Name8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCn1ncc2c1CCC(Nc1nc3c(-c4cncc(Cl)c4)cccn3n1)C2
InChIInChI=1S/C20H20ClN7/c1-2-27-18-6-5-16(9-14(18)11-23-27)24-20-25-19-17(4-3-7-28(19)26-20)13-8-15(21)12-22-10-13/h3-4,7-8,10-12,16H,2,5-6,9H2,1H3,(H,24,26)
InChIKeyYYGKOOZHHBFTGY-UHFFFAOYSA-N
XLogP3.63
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 142607816) is 8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCn1ncc2c1CCC(Nc1nc3c(-c4cncc(Cl)c4)cccn3n1)C2.
What is the InChIKey of 8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YYGKOOZHHBFTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7/c1-2-27-18-6-5-16(9-14(18)11-23-27)24-20-25-19-17(4-3-7-28(19)26-20)13-8-15(21)12-22-10-13/h3-4,7-8,10-12,16H,2,5-6,9H2,1H3,(H,24,26).
What are the key properties of 8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 393.88 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 142607816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).