7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C32H34N6O5 — CID 67539806

IUPAC7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3cnc4c(C(=O)O)cnn4c3NCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C32H34N6O5/c1-31(2,3)43-30(42)37-20-32(24-11-7-8-12-25(24)37)13-15-36(16-14-32)28(39)22-18-34-27-23(29(40)41)19-35-38(27)26(22)33-17-21-9-5-4-6-10-21/h4-12,18-19,33H,13-17,20H2,1-3H3,(H,40,41)
InChIKeyWASUJEJVCBQTBA-UHFFFAOYSA-N
MW582.66 g/mol
LogP4.97
Rot. Bonds5

About 7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 67539806) has the molecular formula C32H34N6O5 and a molecular weight of 582.66 g/mol. Its IUPAC name is 7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID67539806
Molecular FormulaC32H34N6O5
Molecular Weight582.66 g/mol
Exact Mass582.26
IUPAC Name7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3cnc4c(C(=O)O)cnn4c3NCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C32H34N6O5/c1-31(2,3)43-30(42)37-20-32(24-11-7-8-12-25(24)37)13-15-36(16-14-32)28(39)22-18-34-27-23(29(40)41)19-35-38(27)26(22)33-17-21-9-5-4-6-10-21/h4-12,18-19,33H,13-17,20H2,1-3H3,(H,40,41)
InChIKeyWASUJEJVCBQTBA-UHFFFAOYSA-N
XLogP4.97
TPSA129.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.66
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 67539806) is 7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3cnc4c(C(=O)O)cnn4c3NCc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is WASUJEJVCBQTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O5/c1-31(2,3)43-30(42)37-20-32(24-11-7-8-12-25(24)37)13-15-36(16-14-32)28(39)22-18-34-27-23(29(40)41)19-35-38(27)26(22)33-17-21-9-5-4-6-10-21/h4-12,18-19,33H,13-17,20H2,1-3H3,(H,40,41).
What are the key properties of 7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 582.66 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzylamino)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-1'-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 67539806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).