1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one

C22H18N6O — CID 118275162

IUPAC1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one
SMILESCc1[nH]ncc1-c1cnc2[nH]cc(-c3ccn(Cc4ccccc4)c(=O)c3)c2n1
InChIInChI=1S/C22H18N6O/c1-14-17(11-25-27-14)19-12-24-22-21(26-19)18(10-23-22)16-7-8-28(20(29)9-16)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,24)(H,25,27)
InChIKeyJYDMSCJAHYUKNV-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.53
Rot. Bonds4

About 1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one

1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one (PubChem CID 118275162) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one
PubChem CID118275162
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one
SMILESCc1[nH]ncc1-c1cnc2[nH]cc(-c3ccn(Cc4ccccc4)c(=O)c3)c2n1
InChIInChI=1S/C22H18N6O/c1-14-17(11-25-27-14)19-12-24-22-21(26-19)18(10-23-22)16-7-8-28(20(29)9-16)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,24)(H,25,27)
InChIKeyJYDMSCJAHYUKNV-UHFFFAOYSA-N
XLogP3.53
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

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2-tert-butyl-4-[3-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]piperazine-1-carboxylic acid
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N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline
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4-(2-amino-7-pyrazol-1-yl-3H-benzimidazol-5-yl)-1-benzylpyridin-2-one
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N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide
CID 122608983
5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane
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1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
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1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one?
The IUPAC name of 1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one (CID 118275162) is 1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one.
What is the SMILES notation for 1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one?
The canonical SMILES for 1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one is Cc1[nH]ncc1-c1cnc2[nH]cc(-c3ccn(Cc4ccccc4)c(=O)c3)c2n1.
What is the InChIKey of 1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one?
The InChIKey is JYDMSCJAHYUKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-14-17(11-25-27-14)19-12-24-22-21(26-19)18(10-23-22)16-7-8-28(20(29)9-16)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,24)(H,25,27).
What are the key properties of 1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one?
1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one has a molecular weight of 382.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one is sourced from PubChem (CID 118275162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).