2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide

C33H41N7O — CID 71240443

IUPAC2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide
SMILESCc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1
InChIInChI=1S/C33H41N7O/c1-20(2)24-10-9-21(3)29(15-24)39-12-11-27-26(18-39)33(40-14-13-38(17-23(40)5)19-30(34)41)37-32(36-27)25-7-6-8-28-31(25)22(4)16-35-28/h6-10,15-16,20,23,35H,11-14,17-19H2,1-5H3,(H2,34,41)/t23-/m1/s1
InChIKeyZBJLIWSNVXTJAY-HSZRJFAPSA-N
MW551.74 g/mol
LogP4.92
Rot. Bonds6

About 2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide

2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide (PubChem CID 71240443) has the molecular formula C33H41N7O and a molecular weight of 551.74 g/mol. Its IUPAC name is 2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide
PubChem CID71240443
Molecular FormulaC33H41N7O
Molecular Weight551.74 g/mol
Exact Mass551.34
IUPAC Name2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide
SMILESCc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1
InChIInChI=1S/C33H41N7O/c1-20(2)24-10-9-21(3)29(15-24)39-12-11-27-26(18-39)33(40-14-13-38(17-23(40)5)19-30(34)41)37-32(36-27)25-7-6-8-28-31(25)22(4)16-35-28/h6-10,15-16,20,23,35H,11-14,17-19H2,1-5H3,(H2,34,41)/t23-/m1/s1
InChIKeyZBJLIWSNVXTJAY-HSZRJFAPSA-N
XLogP4.92
TPSA94.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.74
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide?
The IUPAC name of 2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide (CID 71240443) is 2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide is Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1.
What is the InChIKey of 2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide?
The InChIKey is ZBJLIWSNVXTJAY-HSZRJFAPSA-N. The full InChI is InChI=1S/C33H41N7O/c1-20(2)24-10-9-21(3)29(15-24)39-12-11-27-26(18-39)33(40-14-13-38(17-23(40)5)19-30(34)41)37-32(36-27)25-7-6-8-28-31(25)22(4)16-35-28/h6-10,15-16,20,23,35H,11-14,17-19H2,1-5H3,(H2,34,41)/t23-/m1/s1.
What are the key properties of 2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide?
2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide has a molecular weight of 551.74 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methyl-4-[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]piperazin-1-yl]acetamide is sourced from PubChem (CID 71240443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).