1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

C15H23N5O2 — CID 174310418

IUPAC1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCOc1nc2c(c(N3CCN(C(C)=O)CC3)n1)CCN(C)C2
InChIInChI=1S/C15H23N5O2/c1-11(21)19-6-8-20(9-7-19)14-12-4-5-18(2)10-13(12)16-15(17-14)22-3/h4-10H2,1-3H3
InChIKeyIBUDRHQVLHYQHH-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.14
Rot. Bonds2

About 1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 174310418) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID174310418
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCOc1nc2c(c(N3CCN(C(C)=O)CC3)n1)CCN(C)C2
InChIInChI=1S/C15H23N5O2/c1-11(21)19-6-8-20(9-7-19)14-12-4-5-18(2)10-13(12)16-15(17-14)22-3/h4-10H2,1-3H3
InChIKeyIBUDRHQVLHYQHH-UHFFFAOYSA-N
XLogP0.14
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[2-methoxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopent-2-en-1-one
CID 142595384
1-[4-[2-methoxy-7-(3-methoxy-2-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 142595099
1-[4-[7-(3-chloro-2-methylphenyl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 142595030
acetonitrile;1-[4-(2-methoxy-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-methylpyrrolidine
CID 142595171
1-[4-[7-(2,3-dimethylphenyl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-(trifluoromethyl)prop-2-en-1-one
CID 146609563
(E)-1-[4-[7-(2,3-dimethylphenyl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-4,4,4-trifluorobut-2-en-1-one
CID 146609706
(E)-4-[4-[2-methoxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-4-oxobut-2-enenitrile
CID 146609471
(E)-4-[4-[2-methoxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethyl-4-oxobut-2-enamide
CID 142595436
2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117101794
2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117101784
2-fluoro-1-[4-(2-methoxy-8-naphthalen-1-yl-5,6,7,9-tetrahydropyrimido[4,5-c]azepin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 170115863
1-[2-methyl-4-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56868275

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone (CID 174310418) is 1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is COc1nc2c(c(N3CCN(C(C)=O)CC3)n1)CCN(C)C2.
What is the InChIKey of 1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is IBUDRHQVLHYQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-11(21)19-6-8-20(9-7-19)14-12-4-5-18(2)10-13(12)16-15(17-14)22-3/h4-10H2,1-3H3.
What are the key properties of 1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 305.38 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 174310418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).