6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one

C41H33N9O3 — CID 123641753

IUPAC6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1cc(-c2cccc(Cn3cnc4ncc(-c5cc(-c6cccc(Cn7cnc8ncccc8c7=O)c6)cc(N(C)C)n5)cc4c3=O)c2)ccn1
InChIInChI=1S/C41H33N9O3/c1-48(2)36-19-31(29-10-5-8-27(16-29)22-49-24-45-38-33(40(49)51)11-6-13-43-38)18-35(47-36)32-17-34-39(44-21-32)46-25-50(41(34)52)23-26-7-4-9-28(15-26)30-12-14-42-37(20-30)53-3/h4-21,24-25H,22-23H2,1-3H3
InChIKeyWZKZSUWFJJEOAU-UHFFFAOYSA-N
MW699.78 g/mol
LogP5.86
Rot. Bonds9

About 6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one

6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 123641753) has the molecular formula C41H33N9O3 and a molecular weight of 699.78 g/mol. Its IUPAC name is 6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID123641753
Molecular FormulaC41H33N9O3
Molecular Weight699.78 g/mol
Exact Mass699.27
IUPAC Name6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1cc(-c2cccc(Cn3cnc4ncc(-c5cc(-c6cccc(Cn7cnc8ncccc8c7=O)c6)cc(N(C)C)n5)cc4c3=O)c2)ccn1
InChIInChI=1S/C41H33N9O3/c1-48(2)36-19-31(29-10-5-8-27(16-29)22-49-24-45-38-33(40(49)51)11-6-13-43-38)18-35(47-36)32-17-34-39(44-21-32)46-25-50(41(34)52)23-26-7-4-9-28(15-26)30-12-14-42-37(20-30)53-3/h4-21,24-25H,22-23H2,1-3H3
InChIKeyWZKZSUWFJJEOAU-UHFFFAOYSA-N
XLogP5.86
TPSA133.81 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500699.78
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

5-{4-[3-(4-Acetylpiperazine-1-Carbonyl)phenyl]quinazolin-6-Yl}-2-Methoxypyridine-3-Carbonitrile
CID 86732669
2-(4-Ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]quinoline
CID 3238892
2-Ethyl-13-(3-methoxyphenyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470724
(4-Methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(5-methylpyridin-2-yl)piperazin-1-yl)methanone
CID 44516014
(4-Methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
CID 50942116
1-[4-[3-[6-(6-Methoxy-3-pyridinyl)quinazolin-4-yl]benzoyl]piperazin-1-yl]ethanone
CID 71548718
2-Methoxy-5-[4-[3-(4-methylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl]pyridine-3-carbonitrile
CID 71548719
[3-[6-[6-Methoxy-5-(trifluoromethyl)pyridin-3-yl]quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 89517065
[5-[6-(6-Methoxy-3-pyridinyl)quinazolin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 89517226
3-(4-methoxybenzyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-4(3H)-one
CID 3239664
(2-(4-Methoxyphenyl)quinolin-4-yl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
CID 3245904
N-(4-methoxyphenyl)-N-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 6621056

Frequently Asked Questions

What is the IUPAC name of 6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 123641753) is 6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one is COc1cc(-c2cccc(Cn3cnc4ncc(-c5cc(-c6cccc(Cn7cnc8ncccc8c7=O)c6)cc(N(C)C)n5)cc4c3=O)c2)ccn1.
What is the InChIKey of 6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is WZKZSUWFJJEOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N9O3/c1-48(2)36-19-31(29-10-5-8-27(16-29)22-49-24-45-38-33(40(49)51)11-6-13-43-38)18-35(47-36)32-17-34-39(44-21-32)46-25-50(41(34)52)23-26-7-4-9-28(15-26)30-12-14-42-37(20-30)53-3/h4-21,24-25H,22-23H2,1-3H3.
What are the key properties of 6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 699.78 g/mol, XLogP of 5.86, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(dimethylamino)-4-[3-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-3-[[3-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 123641753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).