8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H22N6O2 — CID 59199089

IUPAC8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccn3nc(Nc4cnn(CC5CCOC5)c4)nc23)cc1
InChIInChI=1S/C21H22N6O2/c1-28-18-6-4-16(5-7-18)19-3-2-9-27-20(19)24-21(25-27)23-17-11-22-26(13-17)12-15-8-10-29-14-15/h2-7,9,11,13,15H,8,10,12,14H2,1H3,(H,23,25)
InChIKeyYVYCFMKWXLORGC-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.38
Rot. Bonds6

About 8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59199089) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59199089
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccn3nc(Nc4cnn(CC5CCOC5)c4)nc23)cc1
InChIInChI=1S/C21H22N6O2/c1-28-18-6-4-16(5-7-18)19-3-2-9-27-20(19)24-21(25-27)23-17-11-22-26(13-17)12-15-8-10-29-14-15/h2-7,9,11,13,15H,8,10,12,14H2,1H3,(H,23,25)
InChIKeyYVYCFMKWXLORGC-UHFFFAOYSA-N
XLogP3.38
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59199089) is 8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(-c2cccn3nc(Nc4cnn(CC5CCOC5)c4)nc23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YVYCFMKWXLORGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-28-18-6-4-16(5-7-18)19-3-2-9-27-20(19)24-21(25-27)23-17-11-22-26(13-17)12-15-8-10-29-14-15/h2-7,9,11,13,15H,8,10,12,14H2,1H3,(H,23,25).
What are the key properties of 8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 390.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59199089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).