pyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

C20H25N5O — CID 3234231

IUPACpyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1cnccn1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1
InChIInChI=1S/C20H25N5O/c26-19(18-14-22-9-10-23-18)25-12-5-20(6-13-25)4-1-11-24(16-20)15-17-2-7-21-8-3-17/h2-3,7-10,14H,1,4-6,11-13,15-16H2
InChIKeyBUISWGSNHZRQCM-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.39
Rot. Bonds3

About pyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

pyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 3234231) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is pyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID3234231
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Namepyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1cnccn1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1
InChIInChI=1S/C20H25N5O/c26-19(18-14-22-9-10-23-18)25-12-5-20(6-13-25)4-1-11-24(16-20)15-17-2-7-21-8-3-17/h2-3,7-10,14H,1,4-6,11-13,15-16H2
InChIKeyBUISWGSNHZRQCM-UHFFFAOYSA-N
XLogP2.39
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-Dimethylpyridin-3-yl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone
CID 10413034
(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
N-[3-[4-[cyano-(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]pyrazine-2-carboxamide
CID 10344611
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
pyrazin-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3233277
[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 3233641
[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 3234612

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of pyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 3234231) is pyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is O=C(c1cnccn1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1.
What is the InChIKey of pyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is BUISWGSNHZRQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-19(18-14-22-9-10-23-18)25-12-5-20(6-13-25)4-1-11-24(16-20)15-17-2-7-21-8-3-17/h2-3,7-10,14H,1,4-6,11-13,15-16H2.
What are the key properties of pyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
pyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 3234231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).