3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile

C20H20ClN5 — CID 10361512

IUPAC3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESCc1nn2c(C#N)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20ClN5/c1-15-19(20-4-2-3-18(13-22)26(20)23-15)14-24-9-11-25(12-10-24)17-7-5-16(21)6-8-17/h2-8H,9-12,14H2,1H3
InChIKeyMFGYZKGJWDJWAA-UHFFFAOYSA-N
MW365.87 g/mol
LogP3.49
Rot. Bonds3

About 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 10361512) has the molecular formula C20H20ClN5 and a molecular weight of 365.87 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID10361512
Molecular FormulaC20H20ClN5
Molecular Weight365.87 g/mol
Exact Mass365.14
IUPAC Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESCc1nn2c(C#N)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20ClN5/c1-15-19(20-4-2-3-18(13-22)26(20)23-15)14-24-9-11-25(12-10-24)17-7-5-16(21)6-8-17/h2-8H,9-12,14H2,1H3
InChIKeyMFGYZKGJWDJWAA-UHFFFAOYSA-N
XLogP3.49
TPSA47.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.49
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]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile (CID 10361512) is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile is Cc1nn2c(C#N)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is MFGYZKGJWDJWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5/c1-15-19(20-4-2-3-18(13-22)26(20)23-15)14-24-9-11-25(12-10-24)17-7-5-16(21)6-8-17/h2-8H,9-12,14H2,1H3.
What are the key properties of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile?
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 365.87 g/mol, XLogP of 3.49, 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]-2-methylpyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 10361512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).