pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C22H23N5O4 — CID 118970903

IUPACpyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCOc1cc(Nc2ncc3c(n2)CCN(C(=O)c2ccccn2)C3)cc(OC)c1OC
InChIInChI=1S/C22H23N5O4/c1-29-18-10-15(11-19(30-2)20(18)31-3)25-22-24-12-14-13-27(9-7-16(14)26-22)21(28)17-6-4-5-8-23-17/h4-6,8,10-12H,7,9,13H2,1-3H3,(H,24,25,26)
InChIKeyJKNKZHDOUZIAIU-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.84
Rot. Bonds6

About pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 118970903) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID118970903
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Namepyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCOc1cc(Nc2ncc3c(n2)CCN(C(=O)c2ccccn2)C3)cc(OC)c1OC
InChIInChI=1S/C22H23N5O4/c1-29-18-10-15(11-19(30-2)20(18)31-3)25-22-24-12-14-13-27(9-7-16(14)26-22)21(28)17-6-4-5-8-23-17/h4-6,8,10-12H,7,9,13H2,1-3H3,(H,24,25,26)
InChIKeyJKNKZHDOUZIAIU-UHFFFAOYSA-N
XLogP2.84
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960331
tert-butyl 2-anilino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 45106267
3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dimethoxyanilino)-2-pyridinyl]methanone
CID 109213815
(3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 139461134
[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone
CID 123420392
ethyl 2-(3-chloroanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 57389490
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3,5-dimethylanilino)pyrimidin-4-yl]methanone
CID 109308124
1-[4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888949
morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109206544
methyl 2-[[2-(3-chloroanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-methylamino]acetate
CID 57388826
(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone
CID 110667856
[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 92608949

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 118970903) is pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is COc1cc(Nc2ncc3c(n2)CCN(C(=O)c2ccccn2)C3)cc(OC)c1OC.
What is the InChIKey of pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is JKNKZHDOUZIAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-29-18-10-15(11-19(30-2)20(18)31-3)25-22-24-12-14-13-27(9-7-16(14)26-22)21(28)17-6-4-5-8-23-17/h4-6,8,10-12H,7,9,13H2,1-3H3,(H,24,25,26).
What are the key properties of pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 421.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 118970903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).