2-[(3R)-3-methyl-4-[2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide

C32H40N8O — CID 71240531

IUPAC2-[(3R)-3-methyl-4-[2-(5-methyl-1H-indazol-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(-c3c(C)ccc4[nH]ncc34)nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1
InChIInChI=1S/C32H40N8O/c1-19(2)23-8-6-20(3)28(14-23)39-11-10-26-25(17-39)32(40-13-12-38(16-22(40)5)18-29(33)41)36-31(35-26)30-21(4)7-9-27-24(30)15-34-37-27/h6-9,14-15,19,22H,10-13,16-18H2,1-5H3,(H2,33,41)(H,34,37)/t22-/m1/s1
InChIKeyIYEXZGQRDBGCOC-JOCHJYFZSA-N
MW552.73 g/mol
LogP4.32
Rot. Bonds6

About 2-[(3R)-3-methyl-4-[2-(5-methyl-1H-indazol-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-(5-methyl-1H-indazol-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 71240531) has the molecular formula C32H40N8O and a molecular weight of 552.73 g/mol. Its IUPAC name is 2-[(3R)-3-methyl-4-[2-(5-methyl-1H-indazol-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-(5-methyl-1H-indazol-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 CID71240531
Molecular FormulaC32H40N8O
Molecular Weight552.73 g/mol
Exact Mass552.33
IUPAC Name2-[(3R)-3-methyl-4-[2-(5-methyl-1H-indazol-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(-c3c(C)ccc4[nH]ncc34)nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1
InChIInChI=1S/C32H40N8O/c1-19(2)23-8-6-20(3)28(14-23)39-11-10-26-25(17-39)32(40-13-12-38(16-22(40)5)18-29(33)41)36-31(35-26)30-21(4)7-9-27-24(30)15-34-37-27/h6-9,14-15,19,22H,10-13,16-18H2,1-5H3,(H2,33,41)(H,34,37)/t22-/m1/s1
InChIKeyIYEXZGQRDBGCOC-JOCHJYFZSA-N
XLogP4.32
TPSA107.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.73
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(3R)-3-methyl-4-[2-(5-methyl-1H-indazol-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methyl-4-[2-(5-methyl-1H-indazol-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-(5-methyl-1H-indazol-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 71240531) is 2-[(3R)-3-methyl-4-[2-(5-methyl-1H-indazol-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-(5-methyl-1H-indazol-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-(5-methyl-1H-indazol-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(-c3c(C)ccc4[nH]ncc34)nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1.
What is the InChIKey of 2-[(3R)-3-methyl-4-[2-(5-methyl-1H-indazol-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 IYEXZGQRDBGCOC-JOCHJYFZSA-N. The full InChI is InChI=1S/C32H40N8O/c1-19(2)23-8-6-20(3)28(14-23)39-11-10-26-25(17-39)32(40-13-12-38(16-22(40)5)18-29(33)41)36-31(35-26)30-21(4)7-9-27-24(30)15-34-37-27/h6-9,14-15,19,22H,10-13,16-18H2,1-5H3,(H2,33,41)(H,34,37)/t22-/m1/s1.
What are the key properties of 2-[(3R)-3-methyl-4-[2-(5-methyl-1H-indazol-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-(5-methyl-1H-indazol-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 552.73 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methyl-4-[2-(5-methyl-1H-indazol-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 71240531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).