4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H25ClN8 — CID 126740364

IUPAC4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(Cl)cc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C28H25ClN8/c1-34-18-24(16-32-34)22-12-26(28-23(13-30)15-33-37(28)19-22)21-4-7-27(31-14-21)36-10-8-35(9-11-36)17-20-2-5-25(29)6-3-20/h2-7,12,14-16,18-19H,8-11,17H2,1H3
InChIKeyRPWABDWRYSLHIF-UHFFFAOYSA-N
MW509.02 g/mol
LogP4.64
Rot. Bonds5

About 4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740364) has the molecular formula C28H25ClN8 and a molecular weight of 509.02 g/mol. Its IUPAC name is 4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740364
Molecular FormulaC28H25ClN8
Molecular Weight509.02 g/mol
Exact Mass508.19
IUPAC Name4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(Cl)cc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C28H25ClN8/c1-34-18-24(16-32-34)22-12-26(28-23(13-30)15-33-37(28)19-22)21-4-7-27(31-14-21)36-10-8-35(9-11-36)17-20-2-5-25(29)6-3-20/h2-7,12,14-16,18-19H,8-11,17H2,1H3
InChIKeyRPWABDWRYSLHIF-UHFFFAOYSA-N
XLogP4.64
TPSA78.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.02
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740364) is 4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(Cl)cc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is RPWABDWRYSLHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN8/c1-34-18-24(16-32-34)22-12-26(28-23(13-30)15-33-37(28)19-22)21-4-7-27(31-14-21)36-10-8-35(9-11-36)17-20-2-5-25(29)6-3-20/h2-7,12,14-16,18-19H,8-11,17H2,1H3.
What are the key properties of 4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 509.02 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).