[4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone

C24H33N5O2 — CID 95832423

IUPAC[4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCCOCc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(NC)n2)CN(C)CC3)cc1
InChIInChI=1S/C24H33N5O2/c1-4-31-16-17-8-10-18(11-9-17)24(30)29-13-6-5-7-21(29)23-26-20-12-14-28(3)15-19(20)22(25-2)27-23/h8-11,21H,4-7,12-16H2,1-3H3,(H,25,26,27)/t21-/m0/s1
InChIKeyGIHCPBNDPXRRBI-NRFANRHFSA-N
MW423.56 g/mol
LogP3.41
Rot. Bonds6

About [4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone

[4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 95832423) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is [4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID95832423
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name[4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCCOCc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(NC)n2)CN(C)CC3)cc1
InChIInChI=1S/C24H33N5O2/c1-4-31-16-17-8-10-18(11-9-17)24(30)29-13-6-5-7-21(29)23-26-20-12-14-28(3)15-19(20)22(25-2)27-23/h8-11,21H,4-7,12-16H2,1-3H3,(H,25,26,27)/t21-/m0/s1
InChIKeyGIHCPBNDPXRRBI-NRFANRHFSA-N
XLogP3.41
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 110262435
3-(4-methoxyphenyl)-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110262519
[4-(ethoxymethyl)phenyl]-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 95833928
1-[(2S)-2-[6-(2-hydroxyethyl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124962527
N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide
CID 110262407
1-[(2S)-2-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95840022
3-(4-methoxyphenyl)-1-[(2R)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92622925
1-[2-(1-acetylpiperidin-2-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(dimethylamino)ethanone
CID 110262209
2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 92624702
1-[2-[1-[4-(methoxymethyl)benzoyl]piperidin-3-yl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110262335
[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone
CID 92636376
2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide
CID 110262500

Frequently Asked Questions

What is the IUPAC name of [4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone (CID 95832423) is [4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone is CCOCc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(NC)n2)CN(C)CC3)cc1.
What is the InChIKey of [4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is GIHCPBNDPXRRBI-NRFANRHFSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-4-31-16-17-8-10-18(11-9-17)24(30)29-13-6-5-7-21(29)23-26-20-12-14-28(3)15-19(20)22(25-2)27-23/h8-11,21H,4-7,12-16H2,1-3H3,(H,25,26,27)/t21-/m0/s1.
What are the key properties of [4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
[4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 423.56 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95832423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).