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

C29H38N8 — CID 123990418

IUPAC2-(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
SMILESCc1cn(C)c2cccc(-c3nc4c(c(N5CCNC(C)C5)n3)CN(c3cc(C(C)C)nn3C)CC4)c12
InChIInChI=1S/C29H38N8/c1-18(2)24-14-26(35(6)33-24)36-12-10-23-22(17-36)29(37-13-11-30-20(4)16-37)32-28(31-23)21-8-7-9-25-27(21)19(3)15-34(25)5/h7-9,14-15,18,20,30H,10-13,16-17H2,1-6H3
InChIKeyMIMLUDHTQBJPKH-UHFFFAOYSA-N
MW498.68 g/mol
LogP4.16
Rot. Bonds4

About 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

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 (PubChem CID 123990418) has the molecular formula C29H38N8 and a molecular weight of 498.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID123990418
Molecular FormulaC29H38N8
Molecular Weight498.68 g/mol
Exact Mass498.32
IUPAC Name2-(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
SMILESCc1cn(C)c2cccc(-c3nc4c(c(N5CCNC(C)C5)n3)CN(c3cc(C(C)C)nn3C)CC4)c12
InChIInChI=1S/C29H38N8/c1-18(2)24-14-26(35(6)33-24)36-12-10-23-22(17-36)29(37-13-11-30-20(4)16-37)32-28(31-23)21-8-7-9-25-27(21)19(3)15-34(25)5/h7-9,14-15,18,20,30H,10-13,16-17H2,1-6H3
InChIKeyMIMLUDHTQBJPKH-UHFFFAOYSA-N
XLogP4.16
TPSA67.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.68
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 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-(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
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-[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
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
tert-butyl 4-[2-(1-iodosulfanyl-3-methylindol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 129113309
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
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
4-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 89397266
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn(C)c2cccc(-c3nc4c(c(N5CCNC(C)C5)n3)CN(c3cc(C(C)C)nn3C)CC4)c12.
What is the InChIKey of 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?
The InChIKey is MIMLUDHTQBJPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8/c1-18(2)24-14-26(35(6)33-24)36-12-10-23-22(17-36)29(37-13-11-30-20(4)16-37)32-28(31-23)21-8-7-9-25-27(21)19(3)15-34(25)5/h7-9,14-15,18,20,30H,10-13,16-17H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 498.68 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123990418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).