2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one

C25H35N5O2 — CID 92625539

IUPAC2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one
SMILESCNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)C(C)(C)Oc1cccc(C)c1)CC2
InChIInChI=1S/C25H35N5O2/c1-17-7-6-8-19(15-17)32-25(2,3)24(31)30-14-11-21-20(16-30)23(26-4)28-22(27-21)18-9-12-29(5)13-10-18/h6-8,15,18H,9-14,16H2,1-5H3,(H,26,27,28)
InChIKeyADPARXPPYYGNLP-UHFFFAOYSA-N
MW437.59 g/mol
LogP3.38
Rot. Bonds5

About 2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one

2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one (PubChem CID 92625539) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one
PubChem CID92625539
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one
SMILESCNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)C(C)(C)Oc1cccc(C)c1)CC2
InChIInChI=1S/C25H35N5O2/c1-17-7-6-8-19(15-17)32-25(2,3)24(31)30-14-11-21-20(16-30)23(26-4)28-22(27-21)18-9-12-29(5)13-10-18/h6-8,15,18H,9-14,16H2,1-5H3,(H,26,27,28)
InChIKeyADPARXPPYYGNLP-UHFFFAOYSA-N
XLogP3.38
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one with MolForge

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Related Compounds

2-(3-methoxyphenyl)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 92624926
2-(4-methoxyphenoxy)-2-methyl-1-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
CID 92623004
1-[(3R)-3-[4-(methylamino)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92623692
[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone
CID 92636376
1-[(3S)-3-[6-[(2-methoxy-4-methylphenyl)methyl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 125018925
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-phenoxyethanone
CID 92624909
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone
CID 92625542
2-(3-fluorophenyl)-2-methyl-1-[4-(methylamino)-2-[(2R)-1-methylpiperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
CID 95836522
N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 92625534
1-[4-[4-(methylamino)-6-(oxolane-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110262134
2-(4-methoxyphenoxy)-2-methyl-1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92622976
2-methyl-2-(3-methylphenoxy)-1-[3-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
CID 110263605

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one?
The IUPAC name of 2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one (CID 92625539) is 2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one is CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)C(C)(C)Oc1cccc(C)c1)CC2.
What is the InChIKey of 2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one?
The InChIKey is ADPARXPPYYGNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-17-7-6-8-19(15-17)32-25(2,3)24(31)30-14-11-21-20(16-30)23(26-4)28-22(27-21)18-9-12-29(5)13-10-18/h6-8,15,18H,9-14,16H2,1-5H3,(H,26,27,28).
What are the key properties of 2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one?
2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one has a molecular weight of 437.59 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenoxy)propan-1-one is sourced from PubChem (CID 92625539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).