3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine

C21H22BrN7 — CID 123803417

IUPAC3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc(-c2cc3c(-c4ccc(Br)c(N5CCCCC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H22BrN7/c1-2-29-13-14(11-24-29)18-10-15-19(12-23-18)26-27-20(15)17-7-6-16(22)21(25-17)28-8-4-3-5-9-28/h6-7,10-13H,2-5,8-9H2,1H3,(H,26,27)
InChIKeyROWKHBUZCQJGJU-UHFFFAOYSA-N
MW452.36 g/mol
LogP4.66
Rot. Bonds4

About 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine

3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 123803417) has the molecular formula C21H22BrN7 and a molecular weight of 452.36 g/mol. Its IUPAC name is 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID123803417
Molecular FormulaC21H22BrN7
Molecular Weight452.36 g/mol
Exact Mass451.11
IUPAC Name3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc(-c2cc3c(-c4ccc(Br)c(N5CCCCC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H22BrN7/c1-2-29-13-14(11-24-29)18-10-15-19(12-23-18)26-27-20(15)17-7-6-16(22)21(25-17)28-8-4-3-5-9-28/h6-7,10-13H,2-5,8-9H2,1H3,(H,26,27)
InChIKeyROWKHBUZCQJGJU-UHFFFAOYSA-N
XLogP4.66
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine 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-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (CID 123803417) is 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is CCn1cc(-c2cc3c(-c4ccc(Br)c(N5CCCCC5)n4)n[nH]c3cn2)cn1.
What is the InChIKey of 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is ROWKHBUZCQJGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN7/c1-2-29-13-14(11-24-29)18-10-15-19(12-23-18)26-27-20(15)17-7-6-16(22)21(25-17)28-8-4-3-5-9-28/h6-7,10-13H,2-5,8-9H2,1H3,(H,26,27).
What are the key properties of 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 452.36 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 123803417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).