8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C23H27N5O — CID 57406617

IUPAC8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cc(C)nc(N2CCC3(CCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1
InChIInChI=1S/C23H27N5O/c1-16-13-17(2)26-22(25-16)27-10-7-23(8-11-27)9-12-28(21(23)29)15-18-14-24-20-6-4-3-5-19(18)20/h3-6,13-14,24H,7-12,15H2,1-2H3
InChIKeyLUJMTQAKFLSHKN-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.59
Rot. Bonds3

About 8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 57406617) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID57406617
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cc(C)nc(N2CCC3(CCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1
InChIInChI=1S/C23H27N5O/c1-16-13-17(2)26-22(25-16)27-10-7-23(8-11-27)9-12-28(21(23)29)15-18-14-24-20-6-4-3-5-19(18)20/h3-6,13-14,24H,7-12,15H2,1-2H3
InChIKeyLUJMTQAKFLSHKN-UHFFFAOYSA-N
XLogP3.59
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-ylmethyl)-7-(4-methoxy-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 67979892
9-(2,6-dimethylpyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 56969347
2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 67979915
2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 67979687
2-(1H-indol-3-ylmethyl)-9-(4-phenylpyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
CID 67251096
2-(1H-indol-3-ylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 67979399
2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
CID 56969784
2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 67984473
2-(1H-indol-3-ylmethyl)-9-pyrido[3,4-b]pyrazin-7-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 67252802
2-(1H-indol-3-ylmethyl)-9-pyrido[2,3-b]pyrazin-7-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 67251259
9-(7H-cyclopenta[d]pyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 148726067
2-(1H-indol-3-ylmethyl)-9-(3-methyl-2,5-dihydropyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
CID 123846087

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 57406617) is 8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is Cc1cc(C)nc(N2CCC3(CCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1.
What is the InChIKey of 8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is LUJMTQAKFLSHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16-13-17(2)26-22(25-16)27-10-7-23(8-11-27)9-12-28(21(23)29)15-18-14-24-20-6-4-3-5-19(18)20/h3-6,13-14,24H,7-12,15H2,1-2H3.
What are the key properties of 8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 389.50 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 57406617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).