9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one

C24H29N5O — CID 56969347

IUPAC9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1cc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)nc(C)n1
InChIInChI=1S/C24H29N5O/c1-17-14-22(27-18(2)26-17)28-12-9-24(10-13-28)8-5-11-29(23(24)30)16-19-15-25-21-7-4-3-6-20(19)21/h3-4,6-7,14-15,25H,5,8-13,16H2,1-2H3
InChIKeyFTXBIBIJNQQWRI-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.98
Rot. Bonds3

About 9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one

9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 56969347) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID56969347
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1cc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)nc(C)n1
InChIInChI=1S/C24H29N5O/c1-17-14-22(27-18(2)26-17)28-12-9-24(10-13-28)8-5-11-29(23(24)30)16-19-15-25-21-7-4-3-6-20(19)21/h3-4,6-7,14-15,25H,5,8-13,16H2,1-2H3
InChIKeyFTXBIBIJNQQWRI-UHFFFAOYSA-N
XLogP3.98
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 56969347) is 9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one is Cc1cc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)nc(C)n1.
What is the InChIKey of 9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is FTXBIBIJNQQWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-17-14-22(27-18(2)26-17)28-12-9-24(10-13-28)8-5-11-29(23(24)30)16-19-15-25-21-7-4-3-6-20(19)21/h3-4,6-7,14-15,25H,5,8-13,16H2,1-2H3.
What are the key properties of 9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 403.53 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 56969347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).