N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C25H31N7O2 — CID 20880462

IUPACN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cc2nc(NCCN3C(C)CCCC3C)n3nc(-c4cccnc4)nc3c2cc1OC
InChIInChI=1S/C25H31N7O2/c1-16-7-5-8-17(2)31(16)12-11-27-25-28-20-14-22(34-4)21(33-3)13-19(20)24-29-23(30-32(24)25)18-9-6-10-26-15-18/h6,9-10,13-17H,5,7-8,11-12H2,1-4H3,(H,27,28)
InChIKeySNGIXAPKVCNPGP-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.03
Rot. Bonds7

About N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 20880462) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-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]-8,9-dimethoxy-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID20880462
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cc2nc(NCCN3C(C)CCCC3C)n3nc(-c4cccnc4)nc3c2cc1OC
InChIInChI=1S/C25H31N7O2/c1-16-7-5-8-17(2)31(16)12-11-27-25-28-20-14-22(34-4)21(33-3)13-19(20)24-29-23(30-32(24)25)18-9-6-10-26-15-18/h6,9-10,13-17H,5,7-8,11-12H2,1-4H3,(H,27,28)
InChIKeySNGIXAPKVCNPGP-UHFFFAOYSA-N
XLogP4.03
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-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]-8,9-dimethoxy-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 20880462) is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-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]-8,9-dimethoxy-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]-8,9-dimethoxy-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cc2nc(NCCN3C(C)CCCC3C)n3nc(-c4cccnc4)nc3c2cc1OC.
What is the InChIKey of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is SNGIXAPKVCNPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-16-7-5-8-17(2)31(16)12-11-27-25-28-20-14-22(34-4)21(33-3)13-19(20)24-29-23(30-32(24)25)18-9-6-10-26-15-18/h6,9-10,13-17H,5,7-8,11-12H2,1-4H3,(H,27,28).
What are the key properties of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 461.57 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 20880462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).