[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone

C19H21N5O2 — CID 97370481

IUPAC[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1
InChIInChI=1S/C19H21N5O2/c25-17(15-2-6-20-7-3-15)24-11-5-19(14-24)4-1-10-23(13-19)18(26)16-12-21-8-9-22-16/h2-3,6-9,12H,1,4-5,10-11,13-14H2/t19-/m1/s1
InChIKeySIRGZKGRBRKSBX-LJQANCHMSA-N
MW351.41 g/mol
LogP1.64
Rot. Bonds2

About [(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone

[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone (PubChem CID 97370481) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
PubChem CID97370481
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1
InChIInChI=1S/C19H21N5O2/c25-17(15-2-6-20-7-3-15)24-11-5-19(14-24)4-1-10-23(13-19)18(26)16-12-21-8-9-22-16/h2-3,6-9,12H,1,4-5,10-11,13-14H2/t19-/m1/s1
InChIKeySIRGZKGRBRKSBX-LJQANCHMSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

furan-2-yl-[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methanone
CID 97370476
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354
pyrazin-2-yl-[(5R)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450157
[9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone
CID 167940871
[2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 131655788
N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3233698
[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827028
8-(pyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72900123
pyrazin-2-yl-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155859973
(6S)-8-(pyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97137769
[9-(cyclohexylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155834627
pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206

Frequently Asked Questions

What is the IUPAC name of [(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone (CID 97370481) is [(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1.
What is the InChIKey of [(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone?
The InChIKey is SIRGZKGRBRKSBX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-17(15-2-6-20-7-3-15)24-11-5-19(14-24)4-1-10-23(13-19)18(26)16-12-21-8-9-22-16/h2-3,6-9,12H,1,4-5,10-11,13-14H2/t19-/m1/s1.
What are the key properties of [(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone?
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone has a molecular weight of 351.41 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 97370481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).