4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile

C19H19N5 — CID 45111726

IUPAC4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
SMILESCN1CCC(n2nc(-c3ccc(C#N)cc3)c3cnccc32)CC1
InChIInChI=1S/C19H19N5/c1-23-10-7-16(8-11-23)24-18-6-9-21-13-17(18)19(22-24)15-4-2-14(12-20)3-5-15/h2-6,9,13,16H,7-8,10-11H2,1H3
InChIKeyNILDVZHGTHLEAC-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.24
Rot. Bonds2

About 4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile

4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile (PubChem CID 45111726) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
PubChem CID45111726
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
SMILESCN1CCC(n2nc(-c3ccc(C#N)cc3)c3cnccc32)CC1
InChIInChI=1S/C19H19N5/c1-23-10-7-16(8-11-23)24-18-6-9-21-13-17(18)19(22-24)15-4-2-14(12-20)3-5-15/h2-6,9,13,16H,7-8,10-11H2,1H3
InChIKeyNILDVZHGTHLEAC-UHFFFAOYSA-N
XLogP3.24
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
The IUPAC name of 4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile (CID 45111726) is 4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
The canonical SMILES for 4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile is CN1CCC(n2nc(-c3ccc(C#N)cc3)c3cnccc32)CC1.
What is the InChIKey of 4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
The InChIKey is NILDVZHGTHLEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-23-10-7-16(8-11-23)24-18-6-9-21-13-17(18)19(22-24)15-4-2-14(12-20)3-5-15/h2-6,9,13,16H,7-8,10-11H2,1H3.
What are the key properties of 4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile has a molecular weight of 317.40 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 45111726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).