5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C22H17N5O — CID 166490637

IUPAC5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cnc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C22H17N5O/c1-13-20(21(27-26-13)16-6-8-23-9-7-16)15-4-2-14(3-5-15)18-10-17-11-19(28)25-22(17)24-12-18/h2-10,12H,11H2,1H3,(H,26,27)(H,24,25,28)
InChIKeyZNAYADGOIUQAGS-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.00
Rot. Bonds3

About 5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 166490637) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID166490637
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cnc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C22H17N5O/c1-13-20(21(27-26-13)16-6-8-23-9-7-16)15-4-2-14(3-5-15)18-10-17-11-19(28)25-22(17)24-12-18/h2-10,12H,11H2,1H3,(H,26,27)(H,24,25,28)
InChIKeyZNAYADGOIUQAGS-UHFFFAOYSA-N
XLogP4.00
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 101123211
5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 15504071
4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 22037187
4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 22037265
4-[3-(3-ethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 22037470
3-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenol
CID 22953773
4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037254
2-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenol
CID 135677569
4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine
CID 166490768
5-(6-methoxy-4-methyl-3-pyridinyl)-1,3-dihydroindol-2-one
CID 58200547
2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline
CID 11646834
1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one
CID 22063821

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 166490637) is 5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is Cc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cnc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of 5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is ZNAYADGOIUQAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-13-20(21(27-26-13)16-6-8-23-9-7-16)15-4-2-14(3-5-15)18-10-17-11-19(28)25-22(17)24-12-18/h2-10,12H,11H2,1H3,(H,26,27)(H,24,25,28).
What are the key properties of 5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 367.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 166490637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).