5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H22N8O — CID 169006445

IUPAC5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCn1cc2cc(-c3cccc4nc(Nc5cnn(CC6CCOC6)c5)nn34)ccc2n1
InChIInChI=1S/C22H22N8O/c1-28-12-17-9-16(5-6-19(17)26-28)20-3-2-4-21-25-22(27-30(20)21)24-18-10-23-29(13-18)11-15-7-8-31-14-15/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,24,27)
InChIKeyFUOKTQZKYUJFRQ-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.26
Rot. Bonds5

About 5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 169006445) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID169006445
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCn1cc2cc(-c3cccc4nc(Nc5cnn(CC6CCOC6)c5)nn34)ccc2n1
InChIInChI=1S/C22H22N8O/c1-28-12-17-9-16(5-6-19(17)26-28)20-3-2-4-21-25-22(27-30(20)21)24-18-10-23-29(13-18)11-15-7-8-31-14-15/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,24,27)
InChIKeyFUOKTQZKYUJFRQ-UHFFFAOYSA-N
XLogP3.26
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 169006445) is 5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cn1cc2cc(-c3cccc4nc(Nc5cnn(CC6CCOC6)c5)nn34)ccc2n1.
What is the InChIKey of 5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is FUOKTQZKYUJFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-28-12-17-9-16(5-6-19(17)26-28)20-3-2-4-21-25-22(27-30(20)21)24-18-10-23-29(13-18)11-15-7-8-31-14-15/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,24,27).
What are the key properties of 5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 414.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylindazol-5-yl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 169006445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).