8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C26H30N6O — CID 70929679

IUPAC8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccn3nc(Nc4ccc(N5CCN(C(C)C)CC5)cc4)nc23)cc1
InChIInChI=1S/C26H30N6O/c1-19(2)30-15-17-31(18-16-30)22-10-8-21(9-11-22)27-26-28-25-24(5-4-14-32(25)29-26)20-6-12-23(33-3)13-7-20/h4-14,19H,15-18H2,1-3H3,(H,27,29)
InChIKeyIHSLQKZEQRHZHQ-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.68
Rot. Bonds6

About 8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 70929679) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID70929679
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccn3nc(Nc4ccc(N5CCN(C(C)C)CC5)cc4)nc23)cc1
InChIInChI=1S/C26H30N6O/c1-19(2)30-15-17-31(18-16-30)22-10-8-21(9-11-22)27-26-28-25-24(5-4-14-32(25)29-26)20-6-12-23(33-3)13-7-20/h4-14,19H,15-18H2,1-3H3,(H,27,29)
InChIKeyIHSLQKZEQRHZHQ-UHFFFAOYSA-N
XLogP4.68
TPSA57.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 70929679) is 8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(-c2cccn3nc(Nc4ccc(N5CCN(C(C)C)CC5)cc4)nc23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is IHSLQKZEQRHZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-19(2)30-15-17-31(18-16-30)22-10-8-21(9-11-22)27-26-28-25-24(5-4-14-32(25)29-26)20-6-12-23(33-3)13-7-20/h4-14,19H,15-18H2,1-3H3,(H,27,29).
What are the key properties of 8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 442.57 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 70929679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).