N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C23H27N7 — CID 20880322

IUPACN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCC1CCCC(C)N1CCNc1nc2ccccc2c2nc(-c3cccnc3)nn12
InChIInChI=1S/C23H27N7/c1-16-7-5-8-17(2)29(16)14-13-25-23-26-20-11-4-3-10-19(20)22-27-21(28-30(22)23)18-9-6-12-24-15-18/h3-4,6,9-12,15-17H,5,7-8,13-14H2,1-2H3,(H,25,26)
InChIKeyWGVWNEJGMBORIM-UHFFFAOYSA-N
MW401.52 g/mol
LogP4.01
Rot. Bonds5

About N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 20880322) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID20880322
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCC1CCCC(C)N1CCNc1nc2ccccc2c2nc(-c3cccnc3)nn12
InChIInChI=1S/C23H27N7/c1-16-7-5-8-17(2)29(16)14-13-25-23-26-20-11-4-3-10-19(20)22-27-21(28-30(22)23)18-9-6-12-24-15-18/h3-4,6,9-12,15-17H,5,7-8,13-14H2,1-2H3,(H,25,26)
InChIKeyWGVWNEJGMBORIM-UHFFFAOYSA-N
XLogP4.01
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 20880322) is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is CC1CCCC(C)N1CCNc1nc2ccccc2c2nc(-c3cccnc3)nn12.
What is the InChIKey of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is WGVWNEJGMBORIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7/c1-16-7-5-8-17(2)29(16)14-13-25-23-26-20-11-4-3-10-19(20)22-27-21(28-30(22)23)18-9-6-12-24-15-18/h3-4,6,9-12,15-17H,5,7-8,13-14H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 401.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 20880322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).