3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one

C10H13N5O — CID 22293278

IUPAC3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nccnc2n1C1CCNCC1
InChIInChI=1S/C10H13N5O/c16-10-14-8-9(13-6-5-12-8)15(10)7-1-3-11-4-2-7/h5-7,11H,1-4H2,(H,12,14,16)
InChIKeyAEUJTZJJOJMFJG-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.04
Rot. Bonds1

About 3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one

3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 22293278) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID22293278
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nccnc2n1C1CCNCC1
InChIInChI=1S/C10H13N5O/c16-10-14-8-9(13-6-5-12-8)15(10)7-1-3-11-4-2-7/h5-7,11H,1-4H2,(H,12,14,16)
InChIKeyAEUJTZJJOJMFJG-UHFFFAOYSA-N
XLogP0.04
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-1-(pentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-ol
CID 57880833
5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one
CID 87183307
3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 66864122
N-methyl-1-(pyrazin-2-yl)piperidin-4-amine
CID 23215508
N-cyclopropyl-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384005
N-(1-cyclopropylpiperidin-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 51078473
N-[2-(pyrazin-2-ylamino)ethyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 53522071
N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 71892869
4-{5H,6H,7H,8H-imidazo[1,2-a]pyrazin-7-yl}piperidine
CID 63013048
1-(3,3-Difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone
CID 67000785
N-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33388334
N-Cyclohexyl-N'-pyrazin-2-ylurea
CID 14960556

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one (CID 22293278) is 3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2nccnc2n1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is AEUJTZJJOJMFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c16-10-14-8-9(13-6-5-12-8)15(10)7-1-3-11-4-2-7/h5-7,11H,1-4H2,(H,12,14,16).
What are the key properties of 3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one?
3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 219.25 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 22293278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).