3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile

C19H18ClN5 — CID 11725531

IUPAC3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESN#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12
InChIInChI=1S/C19H18ClN5/c20-16-4-6-17(7-5-16)24-10-8-23(9-11-24)14-15-13-22-25-18(12-21)2-1-3-19(15)25/h1-7,13H,8-11,14H2
InChIKeySTIRDGXSGQTCAJ-UHFFFAOYSA-N
MW351.84 g/mol
LogP3.18
Rot. Bonds3

About 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 11725531) has the molecular formula C19H18ClN5 and a molecular weight of 351.84 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID11725531
Molecular FormulaC19H18ClN5
Molecular Weight351.84 g/mol
Exact Mass351.13
IUPAC Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESN#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12
InChIInChI=1S/C19H18ClN5/c20-16-4-6-17(7-5-16)24-10-8-23(9-11-24)14-15-13-22-25-18(12-21)2-1-3-19(15)25/h1-7,13H,8-11,14H2
InChIKeySTIRDGXSGQTCAJ-UHFFFAOYSA-N
XLogP3.18
TPSA47.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 11725531) is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile is N#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12.
What is the InChIKey of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is STIRDGXSGQTCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5/c20-16-4-6-17(7-5-16)24-10-8-23(9-11-24)14-15-13-22-25-18(12-21)2-1-3-19(15)25/h1-7,13H,8-11,14H2.
What are the key properties of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 351.84 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 11725531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).