5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one

C18H17N7O — CID 168879254

IUPAC5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one
SMILESO=C1N(c2cccnc2)Cc2cc(-c3cnc(N4CCCC4)cn3)nn21
InChIInChI=1S/C18H17N7O/c26-18-24(13-4-3-5-19-9-13)12-14-8-15(22-25(14)18)16-10-21-17(11-20-16)23-6-1-2-7-23/h3-5,8-11H,1-2,6-7,12H2
InChIKeyNTRKRMDRLSWTTG-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.32
Rot. Bonds3

About 5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one

5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one (PubChem CID 168879254) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one.

Molecular Properties

Compound Name5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one
PubChem CID168879254
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one
SMILESO=C1N(c2cccnc2)Cc2cc(-c3cnc(N4CCCC4)cn3)nn21
InChIInChI=1S/C18H17N7O/c26-18-24(13-4-3-5-19-9-13)12-14-8-15(22-25(14)18)16-10-21-17(11-20-16)23-6-1-2-7-23/h3-5,8-11H,1-2,6-7,12H2
InChIKeyNTRKRMDRLSWTTG-UHFFFAOYSA-N
XLogP2.32
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride
CID 168879122
6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride
CID 171801653
1-(5-phenylpyrazin-2-yl)azepane
CID 166601448
2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one
CID 155934961
5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71263066
2-bromo-6-pyridin-3-yl-7H-imidazo[1,2-c]imidazol-5-one
CID 171801635
N-methyl-1-pyridin-3-ylazepan-3-amine
CID 10219904
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
3-(3-piperidin-1-ylphenyl)pyridine
CID 166240155
8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one
CID 134793480
1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylimidazolidin-2-one
CID 163559526
12-piperidin-1-yl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58354665

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one?
The IUPAC name of 5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one (CID 168879254) is 5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one.
What is the SMILES notation for 5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one?
The canonical SMILES for 5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one is O=C1N(c2cccnc2)Cc2cc(-c3cnc(N4CCCC4)cn3)nn21.
What is the InChIKey of 5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one?
The InChIKey is NTRKRMDRLSWTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c26-18-24(13-4-3-5-19-9-13)12-14-8-15(22-25(14)18)16-10-21-17(11-20-16)23-6-1-2-7-23/h3-5,8-11H,1-2,6-7,12H2.
What are the key properties of 5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one?
5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one has a molecular weight of 347.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one is sourced from PubChem (CID 168879254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).