3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one

C20H20N6O2 — CID 57396034

IUPAC3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(-n4cccn4)cc3)nc2n1CC1CCOCC1
InChIInChI=1S/C20H20N6O2/c27-20-24-18-19(25(20)13-14-6-10-28-11-7-14)23-17(12-21-18)15-2-4-16(5-3-15)26-9-1-8-22-26/h1-5,8-9,12,14H,6-7,10-11,13H2,(H,21,24,27)
InChIKeyUYHJRNVVRSAPDJ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.40
Rot. Bonds4

About 3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one

3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 57396034) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID57396034
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(-n4cccn4)cc3)nc2n1CC1CCOCC1
InChIInChI=1S/C20H20N6O2/c27-20-24-18-19(25(20)13-14-6-10-28-11-7-14)23-17(12-21-18)15-2-4-16(5-3-15)26-9-1-8-22-26/h1-5,8-9,12,14H,6-7,10-11,13H2,(H,21,24,27)
InChIKeyUYHJRNVVRSAPDJ-UHFFFAOYSA-N
XLogP2.40
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Azd-7648
CID 135151360
1-[4-[3-[4-Amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 132209868
1-ethyl-3-[4-[7-[(3S)-3-ethylmorpholin-4-yl]-1-methylpyrazolo[4,5-d]pyrimidin-5-yl]phenyl]urea
CID 51355620
7-[3-(4-Methylpiperazin-1-yl)phenyl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130363418
1-[(2S,6R)-4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,6-dimethylpiperazin-1-yl]ethanone
CID 130363443
US10023576, Example 11
CID 132209468
1-[(3S)-4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-3-methylpiperazin-1-yl]ethanone
CID 132209957
3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 24983903
5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24984057
3-(cyclohexylmethyl)-5-(1H-indazol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985365
3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985541
5-[4-(1H-imidazol-2-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985717

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 57396034) is 3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(-c3ccc(-n4cccn4)cc3)nc2n1CC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is UYHJRNVVRSAPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c27-20-24-18-19(25(20)13-14-6-10-28-11-7-14)23-17(12-21-18)15-2-4-16(5-3-15)26-9-1-8-22-26/h1-5,8-9,12,14H,6-7,10-11,13H2,(H,21,24,27).
What are the key properties of 3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 376.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethyl)-5-(4-pyrazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 57396034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).