3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile

C23H18N6 — CID 44589331

IUPAC3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile
SMILESCc1cc(C#N)ccc1N1CCc2c(-n3ccc(-c4ccccn4)n3)ccnc21
InChIInChI=1S/C23H18N6/c1-16-14-17(15-24)5-6-21(16)28-12-8-18-22(7-11-26-23(18)28)29-13-9-20(27-29)19-4-2-3-10-25-19/h2-7,9-11,13-14H,8,12H2,1H3
InChIKeyZSQYYVUYZLNMEG-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.20
Rot. Bonds3

About 3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile

3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile (PubChem CID 44589331) has the molecular formula C23H18N6 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile
PubChem CID44589331
Molecular FormulaC23H18N6
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC Name3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile
SMILESCc1cc(C#N)ccc1N1CCc2c(-n3ccc(-c4ccccn4)n3)ccnc21
InChIInChI=1S/C23H18N6/c1-16-14-17(15-24)5-6-21(16)28-12-8-18-22(7-11-26-23(18)28)29-13-9-20(27-29)19-4-2-3-10-25-19/h2-7,9-11,13-14H,8,12H2,1H3
InChIKeyZSQYYVUYZLNMEG-UHFFFAOYSA-N
XLogP4.20
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile?
The IUPAC name of 3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile (CID 44589331) is 3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile.
What is the SMILES notation for 3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile?
The canonical SMILES for 3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile is Cc1cc(C#N)ccc1N1CCc2c(-n3ccc(-c4ccccn4)n3)ccnc21.
What is the InChIKey of 3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile?
The InChIKey is ZSQYYVUYZLNMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6/c1-16-14-17(15-24)5-6-21(16)28-12-8-18-22(7-11-26-23(18)28)29-13-9-20(27-29)19-4-2-3-10-25-19/h2-7,9-11,13-14H,8,12H2,1H3.
What are the key properties of 3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile?
3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile has a molecular weight of 378.44 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile is sourced from PubChem (CID 44589331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).