7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one

C19H23N9O — CID 156576459

IUPAC7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCN(C)CC1)c(=O)n2C
InChIInChI=1S/C19H23N9O/c1-12-8-16-21-11-22-27(16)10-14(12)23-18-20-9-15-17(24-18)28(19(29)26(15)3)13-4-6-25(2)7-5-13/h8-11,13H,4-7H2,1-3H3,(H,20,23,24)
InChIKeyUGNHLWUNKPACLB-UHFFFAOYSA-N
MW393.46 g/mol
LogP1.49
Rot. Bonds3

About 7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one

7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one (PubChem CID 156576459) has the molecular formula C19H23N9O and a molecular weight of 393.46 g/mol. Its IUPAC name is 7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one.

Molecular Properties

Compound Name7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
PubChem CID156576459
Molecular FormulaC19H23N9O
Molecular Weight393.46 g/mol
Exact Mass393.20
IUPAC Name7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCN(C)CC1)c(=O)n2C
InChIInChI=1S/C19H23N9O/c1-12-8-16-21-11-22-27(16)10-14(12)23-18-20-9-15-17(24-18)28(19(29)26(15)3)13-4-6-25(2)7-5-13/h8-11,13H,4-7H2,1-3H3,(H,20,23,24)
InChIKeyUGNHLWUNKPACLB-UHFFFAOYSA-N
XLogP1.49
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
The IUPAC name of 7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one (CID 156576459) is 7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one.
What is the SMILES notation for 7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
The canonical SMILES for 7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one is Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCN(C)CC1)c(=O)n2C.
What is the InChIKey of 7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
The InChIKey is UGNHLWUNKPACLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9O/c1-12-8-16-21-11-22-27(16)10-14(12)23-18-20-9-15-17(24-18)28(19(29)26(15)3)13-4-6-25(2)7-5-13/h8-11,13H,4-7H2,1-3H3,(H,20,23,24).
What are the key properties of 7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one has a molecular weight of 393.46 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one is sourced from PubChem (CID 156576459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).