4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C26H25ClN8 — CID 135241402

IUPAC4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCn1cc(-c2cn3ncc(Cl)c3c(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)n2)cn1
InChIInChI=1S/C26H25ClN8/c1-32-17-21(14-29-32)23-18-35-26(22(27)15-30-35)25(31-23)20-7-8-24(28-13-20)34-11-9-33(10-12-34)16-19-5-3-2-4-6-19/h2-8,13-15,17-18H,9-12,16H2,1H3
InChIKeyZJPFBLJEBKSJAW-UHFFFAOYSA-N
MW485.00 g/mol
LogP4.17
Rot. Bonds5

About 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 135241402) has the molecular formula C26H25ClN8 and a molecular weight of 485.00 g/mol. Its IUPAC name is 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID135241402
Molecular FormulaC26H25ClN8
Molecular Weight485.00 g/mol
Exact Mass484.19
IUPAC Name4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCn1cc(-c2cn3ncc(Cl)c3c(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)n2)cn1
InChIInChI=1S/C26H25ClN8/c1-32-17-21(14-29-32)23-18-35-26(22(27)15-30-35)25(31-23)20-7-8-24(28-13-20)34-11-9-33(10-12-34)16-19-5-3-2-4-6-19/h2-8,13-15,17-18H,9-12,16H2,1H3
InChIKeyZJPFBLJEBKSJAW-UHFFFAOYSA-N
XLogP4.17
TPSA67.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.00
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 135241402) is 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is Cn1cc(-c2cn3ncc(Cl)c3c(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)n2)cn1.
What is the InChIKey of 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is ZJPFBLJEBKSJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN8/c1-32-17-21(14-29-32)23-18-35-26(22(27)15-30-35)25(31-23)20-7-8-24(28-13-20)34-11-9-33(10-12-34)16-19-5-3-2-4-6-19/h2-8,13-15,17-18H,9-12,16H2,1H3.
What are the key properties of 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 485.00 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 135241402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).