2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid

C27H34N4O4 — CID 68762168

IUPAC2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid
SMILESC[C@@H]1CCc2ncnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)c4cc(CC(=O)O)ccc43)c21
InChIInChI=1S/C27H34N4O4/c1-17-5-7-20-23(17)24(29-16-28-20)31-15-27(19-13-18(14-22(32)33)6-8-21(19)31)9-11-30(12-10-27)25(34)35-26(2,3)4/h6,8,13,16-17H,5,7,9-12,14-15H2,1-4H3,(H,32,33)/t17-/m1/s1
InChIKeyRGBFISZMRQJKSR-QGZVFWFLSA-N
MW478.59 g/mol
LogP4.57
Rot. Bonds3

About 2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid

2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid (PubChem CID 68762168) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid
PubChem CID68762168
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid
SMILESC[C@@H]1CCc2ncnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)c4cc(CC(=O)O)ccc43)c21
InChIInChI=1S/C27H34N4O4/c1-17-5-7-20-23(17)24(29-16-28-20)31-15-27(19-13-18(14-22(32)33)6-8-21(19)31)9-11-30(12-10-27)25(34)35-26(2,3)4/h6,8,13,16-17H,5,7,9-12,14-15H2,1-4H3,(H,32,33)/t17-/m1/s1
InChIKeyRGBFISZMRQJKSR-QGZVFWFLSA-N
XLogP4.57
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid with MolForge

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Related Compounds

tert-butyl 4-[(2-hydroxyethylamino)methyl]-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 68759171
tert-butyl 3-(4-chlorophenyl)-3-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 67339256
(3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine]
CID 163660955
2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride
CID 68734151
[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine
CID 68737526
(2R)-2-amino-3-(4-tert-butylphenyl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 24784609
acetaldehyde;tert-butyl 5-bromo-1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;ethane
CID 143192754
tert-butyl 2-[6-(2-phenylethyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 168924966
tert-butyl 3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 59688382
tert-butyl 4-[(5R)-7-hydroxy-5,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 66617862
tert-butyl 6-phenylmethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 139321101
2-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]acetic acid
CID 155669790

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid?
The IUPAC name of 2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid (CID 68762168) is 2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid?
The canonical SMILES for 2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid is C[C@@H]1CCc2ncnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)c4cc(CC(=O)O)ccc43)c21.
What is the InChIKey of 2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid?
The InChIKey is RGBFISZMRQJKSR-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-17-5-7-20-23(17)24(29-16-28-20)31-15-27(19-13-18(14-22(32)33)6-8-21(19)31)9-11-30(12-10-27)25(34)35-26(2,3)4/h6,8,13,16-17H,5,7,9-12,14-15H2,1-4H3,(H,32,33)/t17-/m1/s1.
What are the key properties of 2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid?
2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid has a molecular weight of 478.59 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid is sourced from PubChem (CID 68762168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).