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

C30H32F3N7O — CID 71240438

IUPAC2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide
SMILESCc1c[nH]c2cccc(-c3nc4c(c(N5CCN(CC(N)=O)[C@H](C)C5)n3)CN(c3ccccc3C(F)(F)F)CC4)c12
InChIInChI=1S/C30H32F3N7O/c1-18-14-35-24-8-5-6-20(27(18)24)28-36-23-10-11-39(25-9-4-3-7-22(25)30(31,32)33)16-21(23)29(37-28)40-13-12-38(17-26(34)41)19(2)15-40/h3-9,14,19,35H,10-13,15-17H2,1-2H3,(H2,34,41)/t19-/m1/s1
InChIKeyAZZXOFIFLJGAPU-LJQANCHMSA-N
MW563.63 g/mol
LogP4.51
Rot. Bonds5

About 2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide

2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide (PubChem CID 71240438) has the molecular formula C30H32F3N7O and a molecular weight of 563.63 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide
PubChem CID71240438
Molecular FormulaC30H32F3N7O
Molecular Weight563.63 g/mol
Exact Mass563.26
IUPAC Name2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide
SMILESCc1c[nH]c2cccc(-c3nc4c(c(N5CCN(CC(N)=O)[C@H](C)C5)n3)CN(c3ccccc3C(F)(F)F)CC4)c12
InChIInChI=1S/C30H32F3N7O/c1-18-14-35-24-8-5-6-20(27(18)24)28-36-23-10-11-39(25-9-4-3-7-22(25)30(31,32)33)16-21(23)29(37-28)40-13-12-38(17-26(34)41)19(2)15-40/h3-9,14,19,35H,10-13,15-17H2,1-2H3,(H2,34,41)/t19-/m1/s1
InChIKeyAZZXOFIFLJGAPU-LJQANCHMSA-N
XLogP4.51
TPSA94.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.63
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-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-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide (CID 71240438) is 2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide is Cc1c[nH]c2cccc(-c3nc4c(c(N5CCN(CC(N)=O)[C@H](C)C5)n3)CN(c3ccccc3C(F)(F)F)CC4)c12.
What is the InChIKey of 2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide?
The InChIKey is AZZXOFIFLJGAPU-LJQANCHMSA-N. The full InChI is InChI=1S/C30H32F3N7O/c1-18-14-35-24-8-5-6-20(27(18)24)28-36-23-10-11-39(25-9-4-3-7-22(25)30(31,32)33)16-21(23)29(37-28)40-13-12-38(17-26(34)41)19(2)15-40/h3-9,14,19,35H,10-13,15-17H2,1-2H3,(H2,34,41)/t19-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide?
2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide has a molecular weight of 563.63 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 71240438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).