9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane

C24H31N5 — CID 67516580

IUPAC9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane
SMILESCc1cnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3)CC2)nc1C
InChIInChI=1S/C24H31N5/c1-18-14-26-23(27-19(18)2)29-12-9-24(10-13-29)8-5-11-28(17-24)16-20-15-25-22-7-4-3-6-21(20)22/h3-4,6-7,14-15,25H,5,8-13,16-17H2,1-2H3
InChIKeyMYMBJOYDRZKSTM-UHFFFAOYSA-N
MW389.55 g/mol
LogP4.46
Rot. Bonds3

About 9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane

9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane (PubChem CID 67516580) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is 9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane
PubChem CID67516580
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC Name9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane
SMILESCc1cnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3)CC2)nc1C
InChIInChI=1S/C24H31N5/c1-18-14-26-23(27-19(18)2)29-12-9-24(10-13-29)8-5-11-28(17-24)16-20-15-25-22-7-4-3-6-21(20)22/h3-4,6-7,14-15,25H,5,8-13,16-17H2,1-2H3
InChIKeyMYMBJOYDRZKSTM-UHFFFAOYSA-N
XLogP4.46
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane (CID 67516580) is 9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane is Cc1cnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3)CC2)nc1C.
What is the InChIKey of 9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane?
The InChIKey is MYMBJOYDRZKSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-18-14-26-23(27-19(18)2)29-12-9-24(10-13-29)8-5-11-28(17-24)16-20-15-25-22-7-4-3-6-21(20)22/h3-4,6-7,14-15,25H,5,8-13,16-17H2,1-2H3.
What are the key properties of 9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane?
9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane has a molecular weight of 389.55 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 67516580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).