4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide

C19H21N9O3 — CID 162680352

About 4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide

4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide (PubChem CID 162680352) has the molecular formula C19H21N9O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide.

Molecular Properties

• Compound Name: 4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide
• PubChem CID: 162680352
• Molecular Formula: C19H21N9O3
• Molecular Weight: 423.44 g/mol
• Exact Mass: 423.18
• IUPAC Name: 4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide
• SMILES: Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1(C(N)=O)CCOCC1)c(=O)n2C
• InChI: InChI=1S/C19H21N9O3/c1-11-7-14-22-10-23-27(14)9-12(11)24-17-21-8-13-15(25-17)28(18(30)26(13)2)19(16(20)29)3-5-31-6-4-19/h7-10H,3-6H2,1-2H3,(H2,20,29)(H,21,24,25)
• InChIKey: UYPNACIKJQLJME-UHFFFAOYSA-N
• XLogP: 0.22
• TPSA: 147.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.44
LogP ≤ 5	0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide?

The IUPAC name of 4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide (CID 162680352) is 4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide.

What is the SMILES notation for 4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide?

The canonical SMILES for 4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide is Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1(C(N)=O)CCOCC1)c(=O)n2C.

What is the InChIKey of 4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide?

The InChIKey is UYPNACIKJQLJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O3/c1-11-7-14-22-10-23-27(14)9-12(11)24-17-21-8-13-15(25-17)28(18(30)26(13)2)19(16(20)29)3-5-31-6-4-19/h7-10H,3-6H2,1-2H3,(H2,20,29)(H,21,24,25).

What are the key properties of 4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide?

4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide is sourced from PubChem (CID 162680352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).