2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile

C24H22N6 — CID 134327531

IUPAC2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5ccccc5C#N)nc34)cc2)CC1
InChIInChI=1S/C24H22N6/c1-29-12-14-30(15-13-29)19-8-6-17(7-9-19)23-24-22(27-28-23)11-10-21(26-24)20-5-3-2-4-18(20)16-25/h2-11H,12-15H2,1H3,(H,27,28)
InChIKeyULHAZRVUYVBAJI-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.92
Rot. Bonds3

About 2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile

2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile (PubChem CID 134327531) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile
PubChem CID134327531
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC Name2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5ccccc5C#N)nc34)cc2)CC1
InChIInChI=1S/C24H22N6/c1-29-12-14-30(15-13-29)19-8-6-17(7-9-19)23-24-22(27-28-23)11-10-21(26-24)20-5-3-2-4-18(20)16-25/h2-11H,12-15H2,1H3,(H,27,28)
InChIKeyULHAZRVUYVBAJI-UHFFFAOYSA-N
XLogP3.92
TPSA71.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile?
The IUPAC name of 2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile (CID 134327531) is 2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile?
The canonical SMILES for 2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile is CN1CCN(c2ccc(-c3n[nH]c4ccc(-c5ccccc5C#N)nc34)cc2)CC1.
What is the InChIKey of 2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile?
The InChIKey is ULHAZRVUYVBAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6/c1-29-12-14-30(15-13-29)19-8-6-17(7-9-19)23-24-22(27-28-23)11-10-21(26-24)20-5-3-2-4-18(20)16-25/h2-11H,12-15H2,1H3,(H,27,28).
What are the key properties of 2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile?
2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile has a molecular weight of 394.48 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 134327531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).