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

C29H31F2N7O — CID 71240603

About 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

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 (PubChem CID 71240603) has the molecular formula C29H31F2N7O and a molecular weight of 531.61 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 71240603
• Molecular Formula: C29H31F2N7O
• Molecular Weight: 531.61 g/mol
• Exact Mass: 531.26
• IUPAC Name: 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
• SMILES: Cc1c[nH]c2cccc(-c3nc4c(c(N5CCN(CC(N)=O)[C@H](C)C5)n3)CN(c3ccc(F)cc3F)CC4)c12
• InChI: InChI=1S/C29H31F2N7O/c1-17-13-33-24-5-3-4-20(27(17)24)28-34-23-8-9-37(25-7-6-19(30)12-22(25)31)15-21(23)29(35-28)38-11-10-36(16-26(32)39)18(2)14-38/h3-7,12-13,18,33H,8-11,14-16H2,1-2H3,(H2,32,39)/t18-/m1/s1
• InChIKey: ZIAPNJURUTXLMS-GOSISDBHSA-N
• XLogP: 3.77
• TPSA: 94.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.61
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1c[nH]c2cccc(-c3nc4c(c(N5CCN(CC(N)=O)[C@H](C)C5)n3)CN(c3ccc(F)cc3F)CC4)c12.

What is the InChIKey of 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?

The InChIKey is ZIAPNJURUTXLMS-GOSISDBHSA-N. The full InChI is InChI=1S/C29H31F2N7O/c1-17-13-33-24-5-3-4-20(27(17)24)28-34-23-8-9-37(25-7-6-19(30)12-22(25)31)15-21(23)29(35-28)38-11-10-36(16-26(32)39)18(2)14-38/h3-7,12-13,18,33H,8-11,14-16H2,1-2H3,(H2,32,39)/t18-/m1/s1.

What are the key properties of 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?

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 has a molecular weight of 531.61 g/mol, XLogP of 3.77, 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-(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 is sourced from PubChem (CID 71240603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).