2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C32H42N4O — CID 78046004

IUPAC2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOC1CCN(c2nc(-c3cc(C)ccc3C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1C
InChIInChI=1S/C32H42N4O/c1-20(2)25-11-10-23(5)29(17-25)35-14-12-28-27(19-35)32(36-15-13-30(37-7)24(6)18-36)34-31(33-28)26-16-21(3)8-9-22(26)4/h8-11,16-17,20,24,30H,12-15,18-19H2,1-7H3
InChIKeyBSQYLFBMFKHESS-UHFFFAOYSA-N
MW498.72 g/mol
LogP6.62
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 78046004) has the molecular formula C32H42N4O and a molecular weight of 498.72 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID78046004
Molecular FormulaC32H42N4O
Molecular Weight498.72 g/mol
Exact Mass498.34
IUPAC Name2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOC1CCN(c2nc(-c3cc(C)ccc3C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1C
InChIInChI=1S/C32H42N4O/c1-20(2)25-11-10-23(5)29(17-25)35-14-12-28-27(19-35)32(36-15-13-30(37-7)24(6)18-36)34-31(33-28)26-16-21(3)8-9-22(26)4/h8-11,16-17,20,24,30H,12-15,18-19H2,1-7H3
InChIKeyBSQYLFBMFKHESS-UHFFFAOYSA-N
XLogP6.62
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.72
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71240689
(3S)-1-[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4-methoxy-N,N-dimethylpyrrolidin-3-amine
CID 122196638
4-[(1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71244715
2-(2,5-dimethylphenyl)-4-(4-methoxy-2-methylpiperidin-1-yl)-6-[2-methyl-5-(3-methyloxetan-3-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 78044655
4-[(2S,6R)-4-methoxy-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71244785
4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-2-(2,4,6-trimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 129113566
[1-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 71239158
1-[(2S,5R)-4-[2-(2,6-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 71244797
1-[2-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 71240518
2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol
CID 144518643
4-methoxy-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71244837
(1S,5R,7R)-9-[2-chloro-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-7-methoxy-9-azatricyclo[3.3.1.02,4]non-2-ene
CID 129113823

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 78046004) is 2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COC1CCN(c2nc(-c3cc(C)ccc3C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is BSQYLFBMFKHESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O/c1-20(2)25-11-10-23(5)29(17-25)35-14-12-28-27(19-35)32(36-15-13-30(37-7)24(6)18-36)34-31(33-28)26-16-21(3)8-9-22(26)4/h8-11,16-17,20,24,30H,12-15,18-19H2,1-7H3.
What are the key properties of 2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 498.72 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-4-(4-methoxy-3-methylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 78046004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).