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

C24H29N5O — CID 56970626

IUPAC9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one
SMILESCc1cc(C)nc(N2CCC3(CCCC(=O)N3Cc3cccc4[nH]ccc34)CC2)n1
InChIInChI=1S/C24H29N5O/c1-17-15-18(2)27-23(26-17)28-13-10-24(11-14-28)9-4-7-22(30)29(24)16-19-5-3-6-21-20(19)8-12-25-21/h3,5-6,8,12,15,25H,4,7,9-11,13-14,16H2,1-2H3
InChIKeySIBWUCGEVHSYAT-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.13
Rot. Bonds3

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

9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 56970626) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID56970626
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one
SMILESCc1cc(C)nc(N2CCC3(CCCC(=O)N3Cc3cccc4[nH]ccc34)CC2)n1
InChIInChI=1S/C24H29N5O/c1-17-15-18(2)27-23(26-17)28-13-10-24(11-14-28)9-4-7-22(30)29(24)16-19-5-3-6-21-20(19)8-12-25-21/h3,5-6,8,12,15,25H,4,7,9-11,13-14,16H2,1-2H3
InChIKeySIBWUCGEVHSYAT-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one (CID 56970626) is 9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one is Cc1cc(C)nc(N2CCC3(CCCC(=O)N3Cc3cccc4[nH]ccc34)CC2)n1.
What is the InChIKey of 9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is SIBWUCGEVHSYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-17-15-18(2)27-23(26-17)28-13-10-24(11-14-28)9-4-7-22(30)29(24)16-19-5-3-6-21-20(19)8-12-25-21/h3,5-6,8,12,15,25H,4,7,9-11,13-14,16H2,1-2H3.
What are the key properties of 9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one?
9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 403.53 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 56970626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).