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

C26H34N6O — CID 71240573

IUPAC2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOC1CN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(C)C)nn2C)CC3)C1
InChIInChI=1S/C26H34N6O/c1-16(2)22-12-23(30(5)29-22)31-11-10-21-20(15-31)26(32-13-19(14-32)33-6)28-25(27-21)24-17(3)8-7-9-18(24)4/h7-9,12,16,19H,10-11,13-15H2,1-6H3
InChIKeyGVPABKWUIYXIDT-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.02
Rot. Bonds5

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

2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71240573) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID71240573
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOC1CN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(C)C)nn2C)CC3)C1
InChIInChI=1S/C26H34N6O/c1-16(2)22-12-23(30(5)29-22)31-11-10-21-20(15-31)26(32-13-19(14-32)33-6)28-25(27-21)24-17(3)8-7-9-18(24)4/h7-9,12,16,19H,10-11,13-15H2,1-6H3
InChIKeyGVPABKWUIYXIDT-UHFFFAOYSA-N
XLogP4.02
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-3-ol
CID 71244802
2-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-N-methyl-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 71240650
2-(1,3-dimethylindol-4-yl)-4-(3-methylpiperazin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 123990418
2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71244844
6-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71240447
4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71238867
6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 78044774
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
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
(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
6-benzyl-2-(2,6-dimethylphenyl)-4-[(2R,4R)-4-methoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71238853
6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-ethoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71244801

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71240573) is 2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COC1CN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(C)C)nn2C)CC3)C1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is GVPABKWUIYXIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-16(2)22-12-23(30(5)29-22)31-11-10-21-20(15-31)26(32-13-19(14-32)33-6)28-25(27-21)24-17(3)8-7-9-18(24)4/h7-9,12,16,19H,10-11,13-15H2,1-6H3.
What are the key properties of 2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 446.60 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71240573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).