2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine

C17H18ClN7 — CID 163352896

IUPAC2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
SMILESCn1cc(-c2cncc(N3CCN(c4ccc(Cl)cn4)CC3)n2)cn1
InChIInChI=1S/C17H18ClN7/c1-23-12-13(8-21-23)15-10-19-11-17(22-15)25-6-4-24(5-7-25)16-3-2-14(18)9-20-16/h2-3,8-12H,4-7H2,1H3
InChIKeyAXQICTQBKXEKFV-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.25
Rot. Bonds3

About 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine

2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine (PubChem CID 163352896) has the molecular formula C17H18ClN7 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
PubChem CID163352896
Molecular FormulaC17H18ClN7
Molecular Weight355.83 g/mol
Exact Mass355.13
IUPAC Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
SMILESCn1cc(-c2cncc(N3CCN(c4ccc(Cl)cn4)CC3)n2)cn1
InChIInChI=1S/C17H18ClN7/c1-23-12-13(8-21-23)15-10-19-11-17(22-15)25-6-4-24(5-7-25)16-3-2-14(18)9-20-16/h2-3,8-12H,4-7H2,1H3
InChIKeyAXQICTQBKXEKFV-UHFFFAOYSA-N
XLogP2.25
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine
CID 163352906
2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163354789
4,5-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163351387
3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 163352482
2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 163354935
5-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 163354824
2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
CID 163352310
6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline
CID 163354995
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine
CID 166601472
5-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 66233669
3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine
CID 25309243
6-chloro-2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 115403826

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine (CID 163352896) is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine is Cn1cc(-c2cncc(N3CCN(c4ccc(Cl)cn4)CC3)n2)cn1.
What is the InChIKey of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine?
The InChIKey is AXQICTQBKXEKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN7/c1-23-12-13(8-21-23)15-10-19-11-17(22-15)25-6-4-24(5-7-25)16-3-2-14(18)9-20-16/h2-3,8-12H,4-7H2,1H3.
What are the key properties of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine?
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine has a molecular weight of 355.83 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 163352896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).