pyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C19H23N5O — CID 3233277

IUPACpyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1cnccn1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1
InChIInChI=1S/C19H23N5O/c25-18(17-12-21-8-9-22-17)24-10-1-4-19(15-24)5-11-23(14-19)13-16-2-6-20-7-3-16/h2-3,6-9,12H,1,4-5,10-11,13-15H2/t19-/m0/s1
InChIKeyQMHQFNYVRGXBAU-IBGZPJMESA-N
MW337.43 g/mol
LogP2.00
Rot. Bonds3

About pyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

pyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3233277) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is pyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3233277
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Namepyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1cnccn1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1
InChIInChI=1S/C19H23N5O/c25-18(17-12-21-8-9-22-17)24-10-1-4-19(15-24)5-11-23(14-19)13-16-2-6-20-7-3-16/h2-3,6-9,12H,1,4-5,10-11,13-15H2/t19-/m0/s1
InChIKeyQMHQFNYVRGXBAU-IBGZPJMESA-N
XLogP2.00
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethyl-pyridin-2-yl)-methanone
CID 25126154
5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide
CID 25163734
Indolin-1-yl(pyrazin-2-yl)methanone
CID 862116
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-2-ylmethyl)-amide
CID 644529
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 649335
2-{[4-(2-Fluorophenyl)-1-piperazinyl]carbonyl}pyrazine
CID 862120
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone
CID 2105552
[2-(4-Phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 3232750
[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 3232990
N-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3233083
[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 3233641
Pyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3234231

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of pyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3233277) is pyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is O=C(c1cnccn1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1.
What is the InChIKey of pyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is QMHQFNYVRGXBAU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N5O/c25-18(17-12-21-8-9-22-17)24-10-1-4-19(15-24)5-11-23(14-19)13-16-2-6-20-7-3-16/h2-3,6-9,12H,1,4-5,10-11,13-15H2/t19-/m0/s1.
What are the key properties of pyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
pyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 337.43 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3233277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).