3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile

C23H19ClN6O — CID 122183121

IUPAC3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)c2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c(Cl)c1
InChIInChI=1S/C23H19ClN6O/c24-21-7-14(9-25)1-2-18(21)22(31)20-12-28-23-19(20)8-15(10-27-23)16-11-29-30(13-16)17-3-5-26-6-4-17/h1-2,7-8,10-13,17,26H,3-6H2,(H,27,28)
InChIKeyZVLBZKCPVGAIDV-UHFFFAOYSA-N
MW430.90 g/mol
LogP4.11
Rot. Bonds4

About 3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile

3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile (PubChem CID 122183121) has the molecular formula C23H19ClN6O and a molecular weight of 430.90 g/mol. Its IUPAC name is 3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile
PubChem CID122183121
Molecular FormulaC23H19ClN6O
Molecular Weight430.90 g/mol
Exact Mass430.13
IUPAC Name3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)c2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c(Cl)c1
InChIInChI=1S/C23H19ClN6O/c24-21-7-14(9-25)1-2-18(21)22(31)20-12-28-23-19(20)8-15(10-27-23)16-11-29-30(13-16)17-3-5-26-6-4-17/h1-2,7-8,10-13,17,26H,3-6H2,(H,27,28)
InChIKeyZVLBZKCPVGAIDV-UHFFFAOYSA-N
XLogP4.11
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile?
The IUPAC name of 3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile (CID 122183121) is 3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile.
What is the SMILES notation for 3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile?
The canonical SMILES for 3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile is N#Cc1ccc(C(=O)c2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile?
The InChIKey is ZVLBZKCPVGAIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O/c24-21-7-14(9-25)1-2-18(21)22(31)20-12-28-23-19(20)8-15(10-27-23)16-11-29-30(13-16)17-3-5-26-6-4-17/h1-2,7-8,10-13,17,26H,3-6H2,(H,27,28).
What are the key properties of 3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile?
3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile has a molecular weight of 430.90 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzonitrile is sourced from PubChem (CID 122183121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).