(4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

C20H27N5O — CID 97470063

IUPAC(4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)C[C@@H](c2ccncc2)C12CCN(Cc1nccn1C)CC2
InChIInChI=1S/C20H27N5O/c1-3-25-19(26)14-17(16-4-8-21-9-5-16)20(25)6-11-24(12-7-20)15-18-22-10-13-23(18)2/h4-5,8-10,13,17H,3,6-7,11-12,14-15H2,1-2H3/t17-/m0/s1
InChIKeyCYLYJVLAFQVQBO-KRWDZBQOSA-N
MW353.47 g/mol
LogP2.19
Rot. Bonds4

About (4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

(4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97470063) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97470063
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)C[C@@H](c2ccncc2)C12CCN(Cc1nccn1C)CC2
InChIInChI=1S/C20H27N5O/c1-3-25-19(26)14-17(16-4-8-21-9-5-16)20(25)6-11-24(12-7-20)15-18-22-10-13-23(18)2/h4-5,8-10,13,17H,3,6-7,11-12,14-15H2,1-2H3/t17-/m0/s1
InChIKeyCYLYJVLAFQVQBO-KRWDZBQOSA-N
XLogP2.19
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131654285
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469969
1-methyl-4-pyridin-4-yl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131655923
(3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97391603
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469769
8-[(1-methylimidazol-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493833
8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449880
(4S)-8-[(1-methylimidazol-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469828
2-[2-(dimethylamino)ethyl]-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97362471
1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 121229674
9-[(1-methylimidazol-2-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97385560
3-hexyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70774905

Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97470063) is (4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is CCN1C(=O)C[C@@H](c2ccncc2)C12CCN(Cc1nccn1C)CC2.
What is the InChIKey of (4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CYLYJVLAFQVQBO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-25-19(26)14-17(16-4-8-21-9-5-16)20(25)6-11-24(12-7-20)15-18-22-10-13-23(18)2/h4-5,8-10,13,17H,3,6-7,11-12,14-15H2,1-2H3/t17-/m0/s1.
What are the key properties of (4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
(4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 353.47 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97470063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).