2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C18H17N7O — CID 76901136

IUPAC2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3Cc4cccnc4C3)nc21
InChIInChI=1S/C18H17N7O/c1-26-14-6-2-5-12-16(14)22-18(19)25-17(12)21-15(23-25)10-24-8-11-4-3-7-20-13(11)9-24/h2-7H,8-10H2,1H3,(H2,19,22)
InChIKeyWQERTYMYRDKADL-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.78
Rot. Bonds3

About 2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 76901136) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID76901136
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3Cc4cccnc4C3)nc21
InChIInChI=1S/C18H17N7O/c1-26-14-6-2-5-12-16(14)22-18(19)25-17(12)21-15(23-25)10-24-8-11-4-3-7-20-13(11)9-24/h2-7H,8-10H2,1H3,(H2,19,22)
InChIKeyWQERTYMYRDKADL-UHFFFAOYSA-N
XLogP1.78
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 76901136) is 2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(CN3Cc4cccnc4C3)nc21.
What is the InChIKey of 2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is WQERTYMYRDKADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-26-14-6-2-5-12-16(14)22-18(19)25-17(12)21-15(23-25)10-24-8-11-4-3-7-20-13(11)9-24/h2-7H,8-10H2,1H3,(H2,19,22).
What are the key properties of 2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 347.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 76901136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).