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

C21H20ClN5 — CID 122183107

IUPAC3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccccc1-c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12
InChIInChI=1S/C21H20ClN5/c22-20-4-2-1-3-17(20)19-12-25-21-18(19)9-14(10-24-21)15-11-26-27(13-15)16-5-7-23-8-6-16/h1-4,9-13,16,23H,5-8H2,(H,24,25)
InChIKeyFPENQVXQIUJGIO-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.67
Rot. Bonds3

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

3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 122183107) has the molecular formula C21H20ClN5 and a molecular weight of 377.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID122183107
Molecular FormulaC21H20ClN5
Molecular Weight377.88 g/mol
Exact Mass377.14
IUPAC Name3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccccc1-c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12
InChIInChI=1S/C21H20ClN5/c22-20-4-2-1-3-17(20)19-12-25-21-18(19)9-14(10-24-21)15-11-26-27(13-15)16-5-7-23-8-6-16/h1-4,9-13,16,23H,5-8H2,(H,24,25)
InChIKeyFPENQVXQIUJGIO-UHFFFAOYSA-N
XLogP4.67
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 122183107) is 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Clc1ccccc1-c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12.
What is the InChIKey of 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FPENQVXQIUJGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5/c22-20-4-2-1-3-17(20)19-12-25-21-18(19)9-14(10-24-21)15-11-26-27(13-15)16-5-7-23-8-6-16/h1-4,9-13,16,23H,5-8H2,(H,24,25).
What are the key properties of 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 377.88 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 122183107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).