2-[(2R)-4-[6-(5-fluoro-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

C30H34FN7O — CID 71244718

IUPAC2-[(2R)-4-[6-(5-fluoro-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
SMILESCc1ccc(F)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CCN(CC(N)=O)[C@H](C)C3)c2C1
InChIInChI=1S/C30H34FN7O/c1-18-7-8-21(31)13-26(18)37-10-9-24-23(16-37)30(38-12-11-36(17-27(32)39)20(3)15-38)35-29(34-24)22-5-4-6-25-28(22)19(2)14-33-25/h4-8,13-14,20,33H,9-12,15-17H2,1-3H3,(H2,32,39)/t20-/m1/s1
InChIKeyXTTITTTUMZIIRM-HXUWFJFHSA-N
MW527.65 g/mol
LogP3.94
Rot. Bonds5

About 2-[(2R)-4-[6-(5-fluoro-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

2-[(2R)-4-[6-(5-fluoro-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 (PubChem CID 71244718) has the molecular formula C30H34FN7O and a molecular weight of 527.65 g/mol. Its IUPAC name is 2-[(2R)-4-[6-(5-fluoro-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.

Molecular Properties

Compound Name2-[(2R)-4-[6-(5-fluoro-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
PubChem CID71244718
Molecular FormulaC30H34FN7O
Molecular Weight527.65 g/mol
Exact Mass527.28
IUPAC Name2-[(2R)-4-[6-(5-fluoro-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
SMILESCc1ccc(F)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CCN(CC(N)=O)[C@H](C)C3)c2C1
InChIInChI=1S/C30H34FN7O/c1-18-7-8-21(31)13-26(18)37-10-9-24-23(16-37)30(38-12-11-36(17-27(32)39)20(3)15-38)35-29(34-24)22-5-4-6-25-28(22)19(2)14-33-25/h4-8,13-14,20,33H,9-12,15-17H2,1-3H3,(H2,32,39)/t20-/m1/s1
InChIKeyXTTITTTUMZIIRM-HXUWFJFHSA-N
XLogP3.94
TPSA94.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.65
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-4-[6-(5-fluoro-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[6-(5-fluoro-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?
The IUPAC name of 2-[(2R)-4-[6-(5-fluoro-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 71244718) is 2-[(2R)-4-[6-(5-fluoro-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.
What is the SMILES notation for 2-[(2R)-4-[6-(5-fluoro-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?
The canonical SMILES for 2-[(2R)-4-[6-(5-fluoro-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 is Cc1ccc(F)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CCN(CC(N)=O)[C@H](C)C3)c2C1.
What is the InChIKey of 2-[(2R)-4-[6-(5-fluoro-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?
The InChIKey is XTTITTTUMZIIRM-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H34FN7O/c1-18-7-8-21(31)13-26(18)37-10-9-24-23(16-37)30(38-12-11-36(17-27(32)39)20(3)15-38)35-29(34-24)22-5-4-6-25-28(22)19(2)14-33-25/h4-8,13-14,20,33H,9-12,15-17H2,1-3H3,(H2,32,39)/t20-/m1/s1.
What are the key properties of 2-[(2R)-4-[6-(5-fluoro-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?
2-[(2R)-4-[6-(5-fluoro-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 has a molecular weight of 527.65 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[6-(5-fluoro-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 is sourced from PubChem (CID 71244718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).