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

C21H22N6O2 — CID 59199121

IUPAC8-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccn3nc(Nc4cnn(C5CCOCC5)c4)nc23)cc1
InChIInChI=1S/C21H22N6O2/c1-28-18-6-4-15(5-7-18)19-3-2-10-26-20(19)24-21(25-26)23-16-13-22-27(14-16)17-8-11-29-12-9-17/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,23,25)
InChIKeyMNHPVHGSTQRKND-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.70
Rot. Bonds5

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

8-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59199121) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59199121
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name8-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccn3nc(Nc4cnn(C5CCOCC5)c4)nc23)cc1
InChIInChI=1S/C21H22N6O2/c1-28-18-6-4-15(5-7-18)19-3-2-10-26-20(19)24-21(25-26)23-16-13-22-27(14-16)17-8-11-29-12-9-17/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,23,25)
InChIKeyMNHPVHGSTQRKND-UHFFFAOYSA-N
XLogP3.70
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.70
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-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59199121) is 8-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(-c2cccn3nc(Nc4cnn(C5CCOCC5)c4)nc23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is MNHPVHGSTQRKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-28-18-6-4-15(5-7-18)19-3-2-10-26-20(19)24-21(25-26)23-16-13-22-27(14-16)17-8-11-29-12-9-17/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,23,25).
What are the key properties of 8-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 390.45 g/mol, XLogP of 3.70, 5 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-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59199121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).