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

C27H36N6O — CID 71244802

IUPAC1-[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
SMILESCc1cccc(C)c1-c1nc2c(c(N3CCCC(O)C3)n1)CN(c1cc(C(C)C)nn1C)CC2
InChIInChI=1S/C27H36N6O/c1-17(2)23-14-24(31(5)30-23)32-13-11-22-21(16-32)27(33-12-7-10-20(34)15-33)29-26(28-22)25-18(3)8-6-9-19(25)4/h6,8-9,14,17,20,34H,7,10-13,15-16H2,1-5H3
InChIKeyOYSIHXDDIDVBJK-UHFFFAOYSA-N
MW460.63 g/mol
LogP4.14
Rot. Bonds4

About 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

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 (PubChem CID 71244802) has the molecular formula C27H36N6O and a molecular weight of 460.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID71244802
Molecular FormulaC27H36N6O
Molecular Weight460.63 g/mol
Exact Mass460.30
IUPAC Name1-[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
SMILESCc1cccc(C)c1-c1nc2c(c(N3CCCC(O)C3)n1)CN(c1cc(C(C)C)nn1C)CC2
InChIInChI=1S/C27H36N6O/c1-17(2)23-14-24(31(5)30-23)32-13-11-22-21(16-32)27(33-12-7-10-20(34)15-33)29-26(28-22)25-18(3)8-6-9-19(25)4/h6,8-9,14,17,20,34H,7,10-13,15-16H2,1-5H3
InChIKeyOYSIHXDDIDVBJK-UHFFFAOYSA-N
XLogP4.14
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.63
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71238867
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
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
(3R)-1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
CID 92565044
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71239147
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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(C)c1-c1nc2c(c(N3CCCC(O)C3)n1)CN(c1cc(C(C)C)nn1C)CC2.
What is the InChIKey of 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?
The InChIKey is OYSIHXDDIDVBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O/c1-17(2)23-14-24(31(5)30-23)32-13-11-22-21(16-32)27(33-12-7-10-20(34)15-33)29-26(28-22)25-18(3)8-6-9-19(25)4/h6,8-9,14,17,20,34H,7,10-13,15-16H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 460.63 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71244802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).