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

C19H21N5O2 — CID 97470051

IUPAC(4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)C[C@@H](c2ccncc2)C12CCN(C(=O)c1cnccn1)CC2
InChIInChI=1S/C19H21N5O2/c1-23-17(25)12-15(14-2-6-20-7-3-14)19(23)4-10-24(11-5-19)18(26)16-13-21-8-9-22-16/h2-3,6-9,13,15H,4-5,10-12H2,1H3/t15-/m0/s1
InChIKeyQFCVNXNUCJPFDK-HNNXBMFYSA-N
MW351.41 g/mol
LogP1.49
Rot. Bonds2

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

(4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97470051) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97470051
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)C[C@@H](c2ccncc2)C12CCN(C(=O)c1cnccn1)CC2
InChIInChI=1S/C19H21N5O2/c1-23-17(25)12-15(14-2-6-20-7-3-14)19(23)4-10-24(11-5-19)18(26)16-13-21-8-9-22-16/h2-3,6-9,13,15H,4-5,10-12H2,1H3/t15-/m0/s1
InChIKeyQFCVNXNUCJPFDK-HNNXBMFYSA-N
XLogP1.49
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469506
1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 121229674
1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
CID 97412790
N,N-dimethyl-2-[1-oxo-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97370251
(4S)-4-(1-methylpyrazol-4-yl)-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391794
[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 115304614
1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 110743774
2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
CID 97452762
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
(5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375565
1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118740873
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97470051) is (4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)C[C@@H](c2ccncc2)C12CCN(C(=O)c1cnccn1)CC2.
What is the InChIKey of (4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is QFCVNXNUCJPFDK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-17(25)12-15(14-2-6-20-7-3-14)19(23)4-10-24(11-5-19)18(26)16-13-21-8-9-22-16/h2-3,6-9,13,15H,4-5,10-12H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
(4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 351.41 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97470051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).