2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C26H29N5 — CID 71244791

IUPAC2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N)c2C1
InChIInChI=1S/C26H29N5/c1-15(2)18-9-8-16(3)23(12-18)31-11-10-21-20(14-31)25(27)30-26(29-21)19-6-5-7-22-24(19)17(4)13-28-22/h5-9,12-13,15,28H,10-11,14H2,1-4H3,(H2,27,29,30)
InChIKeyHKYKPPNEWZSPBS-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.51
Rot. Bonds3

About 2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 71244791) has the molecular formula C26H29N5 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID71244791
Molecular FormulaC26H29N5
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC Name2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N)c2C1
InChIInChI=1S/C26H29N5/c1-15(2)18-9-8-16(3)23(12-18)31-11-10-21-20(14-31)25(27)30-26(29-21)19-6-5-7-22-24(19)17(4)13-28-22/h5-9,12-13,15,28H,10-11,14H2,1-4H3,(H2,27,29,30)
InChIKeyHKYKPPNEWZSPBS-UHFFFAOYSA-N
XLogP5.51
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

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
2-(3-methyl-1H-indol-4-yl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 71244758
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
[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-[7-[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]-4,7-diazaspiro[2.5]octan-4-yl]ethanone
CID 71240552
2-[(2R)-4-[6-(5-chloro-2-methylphenyl)-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]acetamide
CID 71240454
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
2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 71240462
2-[(2R)-4-[6-(2,4-difluorophenyl)-2-(3-methyl-1H-indol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-methylpiperazin-1-yl]acetamide
CID 71240603
2-[3-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]-4-[(2R)-2-methylpiperazin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71240674
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-methyl-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 71240608

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 71244791) is 2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N)c2C1.
What is the InChIKey of 2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is HKYKPPNEWZSPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5/c1-15(2)18-9-8-16(3)23(12-18)31-11-10-21-20(14-31)25(27)30-26(29-21)19-6-5-7-22-24(19)17(4)13-28-22/h5-9,12-13,15,28H,10-11,14H2,1-4H3,(H2,27,29,30).
What are the key properties of 2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 411.55 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71244791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).