1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one

C18H23N5O — CID 162634959

IUPAC1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(Cc2ccccn2)CCCC12CCCN2Cc1cnc[nH]1
InChIInChI=1S/C18H23N5O/c24-17-18(7-4-10-23(18)13-16-11-19-14-21-16)6-3-9-22(17)12-15-5-1-2-8-20-15/h1-2,5,8,11,14H,3-4,6-7,9-10,12-13H2,(H,19,21)
InChIKeyIJTGSPWMAYYEGD-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.96
Rot. Bonds4

About 1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one

1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162634959) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162634959
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(Cc2ccccn2)CCCC12CCCN2Cc1cnc[nH]1
InChIInChI=1S/C18H23N5O/c24-17-18(7-4-10-23(18)13-16-11-19-14-21-16)6-3-9-22(17)12-15-5-1-2-8-20-15/h1-2,5,8,11,14H,3-4,6-7,9-10,12-13H2,(H,19,21)
InChIKeyIJTGSPWMAYYEGD-UHFFFAOYSA-N
XLogP1.96
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626574
1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015414
1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164692870
1-(2-methyl-1,3-thiazole-4-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627802
1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628202
1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163313841
1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163311205
6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880504
(6S)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95871019
9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
(3S)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97139662

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162634959) is 1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one is O=C1N(Cc2ccccn2)CCCC12CCCN2Cc1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is IJTGSPWMAYYEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-17-18(7-4-10-23(18)13-16-11-19-14-21-16)6-3-9-22(17)12-15-5-1-2-8-20-15/h1-2,5,8,11,14H,3-4,6-7,9-10,12-13H2,(H,19,21).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 325.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162634959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).