2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide

C33H25N11O4 — CID 137213600

IUPAC2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide
SMILESCOc1ncc(COCC(=O)Nc2ccnc(-c3ccccn3)n2)cc1-c1ccc(-n2cnc3c(=O)[nH]c(-c4ccccn4)nc32)nc1
InChIInChI=1S/C33H25N11O4/c1-47-33-22(14-20(15-38-33)17-48-18-27(45)40-25-10-13-36-29(41-25)23-6-2-4-11-34-23)21-8-9-26(37-16-21)44-19-39-28-31(44)42-30(43-32(28)46)24-7-3-5-12-35-24/h2-16,19H,17-18H2,1H3,(H,42,43,46)(H,36,40,41,45)
InChIKeyRHKCFSIFOWUDCF-UHFFFAOYSA-N
MW639.64 g/mol
LogP3.64
Rot. Bonds10

About 2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide

2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide (PubChem CID 137213600) has the molecular formula C33H25N11O4 and a molecular weight of 639.64 g/mol. Its IUPAC name is 2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide
PubChem CID137213600
Molecular FormulaC33H25N11O4
Molecular Weight639.64 g/mol
Exact Mass639.21
IUPAC Name2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide
SMILESCOc1ncc(COCC(=O)Nc2ccnc(-c3ccccn3)n2)cc1-c1ccc(-n2cnc3c(=O)[nH]c(-c4ccccn4)nc32)nc1
InChIInChI=1S/C33H25N11O4/c1-47-33-22(14-20(15-38-33)17-48-18-27(45)40-25-10-13-36-29(41-25)23-6-2-4-11-34-23)21-8-9-26(37-16-21)44-19-39-28-31(44)42-30(43-32(28)46)24-7-3-5-12-35-24/h2-16,19H,17-18H2,1H3,(H,42,43,46)(H,36,40,41,45)
InChIKeyRHKCFSIFOWUDCF-UHFFFAOYSA-N
XLogP3.64
TPSA188.47 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.64
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(6-methoxy-3-pyridinyl)methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide
CID 129255796
4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide
CID 176858566
5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 158186431
1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide
CID 176858420
N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide
CID 176858503
2-methoxy-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide
CID 56762292
7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137213623
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
CID 122317237
5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 157439446
3-(4-methoxyphenyl)-6-pyridin-2-yl-1H-pyridin-2-one
CID 139267080
methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate
CID 70925637
(3aR,6S,6aS)-N,2,2-trimethyl-4-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
CID 171422268

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide (CID 137213600) is 2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide is COc1ncc(COCC(=O)Nc2ccnc(-c3ccccn3)n2)cc1-c1ccc(-n2cnc3c(=O)[nH]c(-c4ccccn4)nc32)nc1.
What is the InChIKey of 2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide?
The InChIKey is RHKCFSIFOWUDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N11O4/c1-47-33-22(14-20(15-38-33)17-48-18-27(45)40-25-10-13-36-29(41-25)23-6-2-4-11-34-23)21-8-9-26(37-16-21)44-19-39-28-31(44)42-30(43-32(28)46)24-7-3-5-12-35-24/h2-16,19H,17-18H2,1H3,(H,42,43,46)(H,36,40,41,45).
What are the key properties of 2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide?
2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide has a molecular weight of 639.64 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methoxy-5-[6-(6-oxo-2-pyridin-2-yl-1H-purin-9-yl)-3-pyridinyl]-3-pyridinyl]methoxy]-N-(2-pyridin-2-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 137213600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).