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

C22H25N5O2 — CID 67979915

IUPAC2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccnc(N2CCC3(CCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1
InChIInChI=1S/C22H25N5O2/c1-29-19-6-10-23-21(25-19)26-11-7-22(8-12-26)9-13-27(20(22)28)15-16-14-24-18-5-3-2-4-17(16)18/h2-6,10,14,24H,7-9,11-13,15H2,1H3
InChIKeyMFWXWOOWMUHQFK-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.99
Rot. Bonds4

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

2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 67979915) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID67979915
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccnc(N2CCC3(CCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1
InChIInChI=1S/C22H25N5O2/c1-29-19-6-10-23-21(25-19)26-11-7-22(8-12-26)9-13-27(20(22)28)15-16-14-24-18-5-3-2-4-17(16)18/h2-6,10,14,24H,7-9,11-13,15H2,1H3
InChIKeyMFWXWOOWMUHQFK-UHFFFAOYSA-N
XLogP2.99
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
8-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 57406617
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)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 67979687
2-(1H-indol-3-ylmethyl)-9-pyrido[2,3-b]pyrazin-7-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 67251259
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)-9-pyrido[3,4-b]pyrazin-7-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 67252802
9-(7H-cyclopenta[d]pyrimidin-4-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 148726067
2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 153109635
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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 67979915) is 2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one is COc1ccnc(N2CCC3(CCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1.
What is the InChIKey of 2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is MFWXWOOWMUHQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-19-6-10-23-21(25-19)26-11-7-22(8-12-26)9-13-27(20(22)28)15-16-14-24-18-5-3-2-4-17(16)18/h2-6,10,14,24H,7-9,11-13,15H2,1H3.
What are the key properties of 2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 391.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 67979915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).