6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H25BrN4O2 — CID 135945800

IUPAC6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(Br)cc1-c1ccc(CN2CCc3nc(C(C)C)[nH]c(=O)c3C2)cn1
InChIInChI=1S/C23H25BrN4O2/c1-14(2)22-26-20-8-9-28(13-18(20)23(29)27-22)12-15-4-6-19(25-11-15)17-10-16(24)5-7-21(17)30-3/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,26,27,29)
InChIKeyOWYWEYLVENGPJK-UHFFFAOYSA-N
MW469.38 g/mol
LogP4.28
Rot. Bonds5

About 6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135945800) has the molecular formula C23H25BrN4O2 and a molecular weight of 469.38 g/mol. Its IUPAC name is 6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135945800
Molecular FormulaC23H25BrN4O2
Molecular Weight469.38 g/mol
Exact Mass468.12
IUPAC Name6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(Br)cc1-c1ccc(CN2CCc3nc(C(C)C)[nH]c(=O)c3C2)cn1
InChIInChI=1S/C23H25BrN4O2/c1-14(2)22-26-20-8-9-28(13-18(20)23(29)27-22)12-15-4-6-19(25-11-15)17-10-16(24)5-7-21(17)30-3/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,26,27,29)
InChIKeyOWYWEYLVENGPJK-UHFFFAOYSA-N
XLogP4.28
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945798
6-[[6-(2,5-dimethoxyphenyl)-3-pyridinyl]methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24921871
2-(4-aminophenyl)-6-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946013
6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945140
6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917028
2-tert-butyl-6-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946001
2-propan-2-yl-6-(pyrimidin-5-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944880
6-[(3-fluoro-4-methylphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918965
6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947060
6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945682
6-[(2-fluoro-5-methoxyphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917848
2-amino-6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945525

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135945800) is 6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccc(Br)cc1-c1ccc(CN2CCc3nc(C(C)C)[nH]c(=O)c3C2)cn1.
What is the InChIKey of 6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OWYWEYLVENGPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O2/c1-14(2)22-26-20-8-9-28(13-18(20)23(29)27-22)12-15-4-6-19(25-11-15)17-10-16(24)5-7-21(17)30-3/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,26,27,29).
What are the key properties of 6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 469.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(5-bromo-2-methoxyphenyl)-3-pyridinyl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135945800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).