6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine

C18H22ClN7 — CID 133301841

IUPAC6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine
SMILESCCc1nn(C)c(Cl)c1CN1CCN(c2ccc3nccnc3n2)CC1
InChIInChI=1S/C18H22ClN7/c1-3-14-13(17(19)24(2)23-14)12-25-8-10-26(11-9-25)16-5-4-15-18(22-16)21-7-6-20-15/h4-7H,3,8-12H2,1-2H3
InChIKeyKZHPTCYUNKZERY-UHFFFAOYSA-N
MW371.88 g/mol
LogP2.30
Rot. Bonds4

About 6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine

6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine (PubChem CID 133301841) has the molecular formula C18H22ClN7 and a molecular weight of 371.88 g/mol. Its IUPAC name is 6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine
PubChem CID133301841
Molecular FormulaC18H22ClN7
Molecular Weight371.88 g/mol
Exact Mass371.16
IUPAC Name6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine
SMILESCCc1nn(C)c(Cl)c1CN1CCN(c2ccc3nccnc3n2)CC1
InChIInChI=1S/C18H22ClN7/c1-3-14-13(17(19)24(2)23-14)12-25-8-10-26(11-9-25)16-5-4-15-18(22-16)21-7-6-20-15/h4-7H,3,8-12H2,1-2H3
InChIKeyKZHPTCYUNKZERY-UHFFFAOYSA-N
XLogP2.30
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.88
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine?
The IUPAC name of 6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine (CID 133301841) is 6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine.
What is the SMILES notation for 6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine?
The canonical SMILES for 6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine is CCc1nn(C)c(Cl)c1CN1CCN(c2ccc3nccnc3n2)CC1.
What is the InChIKey of 6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine?
The InChIKey is KZHPTCYUNKZERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN7/c1-3-14-13(17(19)24(2)23-14)12-25-8-10-26(11-9-25)16-5-4-15-18(22-16)21-7-6-20-15/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine?
6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine has a molecular weight of 371.88 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrido[2,3-b]pyrazine is sourced from PubChem (CID 133301841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).