9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid

C26H30N6O4 — CID 68749498

IUPAC9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid
SMILESCC1(C)C(=O)Nc2cc(Nc3nc(N4CCC5(CCCN(C(=O)O)C5)CC4)c4occc4n3)ccc21
InChIInChI=1S/C26H30N6O4/c1-25(2)17-5-4-16(14-19(17)28-22(25)33)27-23-29-18-6-13-36-20(18)21(30-23)31-11-8-26(9-12-31)7-3-10-32(15-26)24(34)35/h4-6,13-14H,3,7-12,15H2,1-2H3,(H,28,33)(H,34,35)(H,27,29,30)
InChIKeyUWARTZCZNIOYKX-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.56
Rot. Bonds3

About 9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid

9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid (PubChem CID 68749498) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid.

Molecular Properties

Compound Name9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid
PubChem CID68749498
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid
SMILESCC1(C)C(=O)Nc2cc(Nc3nc(N4CCC5(CCCN(C(=O)O)C5)CC4)c4occc4n3)ccc21
InChIInChI=1S/C26H30N6O4/c1-25(2)17-5-4-16(14-19(17)28-22(25)33)27-23-29-18-6-13-36-20(18)21(30-23)31-11-8-26(9-12-31)7-3-10-32(15-26)24(34)35/h4-6,13-14H,3,7-12,15H2,1-2H3,(H,28,33)(H,34,35)(H,27,29,30)
InChIKeyUWARTZCZNIOYKX-UHFFFAOYSA-N
XLogP4.56
TPSA123.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid?
The IUPAC name of 9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid (CID 68749498) is 9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid.
What is the SMILES notation for 9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid?
The canonical SMILES for 9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid is CC1(C)C(=O)Nc2cc(Nc3nc(N4CCC5(CCCN(C(=O)O)C5)CC4)c4occc4n3)ccc21.
What is the InChIKey of 9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid?
The InChIKey is UWARTZCZNIOYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-25(2)17-5-4-16(14-19(17)28-22(25)33)27-23-29-18-6-13-36-20(18)21(30-23)31-11-8-26(9-12-31)7-3-10-32(15-26)24(34)35/h4-6,13-14H,3,7-12,15H2,1-2H3,(H,28,33)(H,34,35)(H,27,29,30).
What are the key properties of 9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid?
9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid has a molecular weight of 490.56 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecane-2-carboxylic acid is sourced from PubChem (CID 68749498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).