6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine

C18H22N6 — CID 133301861

IUPAC6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine
SMILESCc1cc(C)n(CC2CCN(c3ccc4nccnc4n3)CC2)n1
InChIInChI=1S/C18H22N6/c1-13-11-14(2)24(22-13)12-15-5-9-23(10-6-15)17-4-3-16-18(21-17)20-8-7-19-16/h3-4,7-8,11,15H,5-6,9-10,12H2,1-2H3
InChIKeyWEKFFTHETSICEV-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.75
Rot. Bonds3

About 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine

6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine (PubChem CID 133301861) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine
PubChem CID133301861
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine
SMILESCc1cc(C)n(CC2CCN(c3ccc4nccnc4n3)CC2)n1
InChIInChI=1S/C18H22N6/c1-13-11-14(2)24(22-13)12-15-5-9-23(10-6-15)17-4-3-16-18(21-17)20-8-7-19-16/h3-4,7-8,11,15H,5-6,9-10,12H2,1-2H3
InChIKeyWEKFFTHETSICEV-UHFFFAOYSA-N
XLogP2.75
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine?
The IUPAC name of 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine (CID 133301861) is 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine.
What is the SMILES notation for 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine?
The canonical SMILES for 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine is Cc1cc(C)n(CC2CCN(c3ccc4nccnc4n3)CC2)n1.
What is the InChIKey of 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine?
The InChIKey is WEKFFTHETSICEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-13-11-14(2)24(22-13)12-15-5-9-23(10-6-15)17-4-3-16-18(21-17)20-8-7-19-16/h3-4,7-8,11,15H,5-6,9-10,12H2,1-2H3.
What are the key properties of 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine?
6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine has a molecular weight of 322.42 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]pyrido[2,3-b]pyrazine is sourced from PubChem (CID 133301861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).