(3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C18H23N5O — CID 97469527

IUPAC(3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCn1cc(CN2CCC3(CC2)C[C@@H](c2cccnc2)C(=O)N3)cn1
InChIInChI=1S/C18H23N5O/c1-22-12-14(10-20-22)13-23-7-4-18(5-8-23)9-16(17(24)21-18)15-3-2-6-19-11-15/h2-3,6,10-12,16H,4-5,7-9,13H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyFQNCNBHQYOKHFM-INIZCTEOSA-N
MW325.42 g/mol
LogP1.45
Rot. Bonds3

About (3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

(3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469527) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97469527
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCn1cc(CN2CCC3(CC2)C[C@@H](c2cccnc2)C(=O)N3)cn1
InChIInChI=1S/C18H23N5O/c1-22-12-14(10-20-22)13-23-7-4-18(5-8-23)9-16(17(24)21-18)15-3-2-6-19-11-15/h2-3,6,10-12,16H,4-5,7-9,13H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyFQNCNBHQYOKHFM-INIZCTEOSA-N
XLogP1.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469532
3-pyridin-4-yl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 171706601
8-(furan-3-ylmethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118746825
(3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469534
(3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97391661
8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131651628
8-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493832
(3S)-3-phenyl-8-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 126435844
3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653725
(5R,9R)-9-methyl-7-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471750
(3R)-3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391633
(3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 124914058

Frequently Asked Questions

What is the IUPAC name of (3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97469527) is (3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is Cn1cc(CN2CCC3(CC2)C[C@@H](c2cccnc2)C(=O)N3)cn1.
What is the InChIKey of (3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FQNCNBHQYOKHFM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22-12-14(10-20-22)13-23-7-4-18(5-8-23)9-16(17(24)21-18)15-3-2-6-19-11-15/h2-3,6,10-12,16H,4-5,7-9,13H2,1H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
(3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 325.42 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).