2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine

C21H29N5 — CID 146252701

IUPAC2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine
SMILESCc1cc(-c2cnc(N3CCCC3)cn2)ccc1CN1CCN(C)CC1
InChIInChI=1S/C21H29N5/c1-17-13-18(5-6-19(17)16-25-11-9-24(2)10-12-25)20-14-23-21(15-22-20)26-7-3-4-8-26/h5-6,13-15H,3-4,7-12,16H2,1-2H3
InChIKeyJETBGCGLFCLXNS-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.80
Rot. Bonds4

About 2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine

2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine (PubChem CID 146252701) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine.

Molecular Properties

Compound Name2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine
PubChem CID146252701
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine
SMILESCc1cc(-c2cnc(N3CCCC3)cn2)ccc1CN1CCN(C)CC1
InChIInChI=1S/C21H29N5/c1-17-13-18(5-6-19(17)16-25-11-9-24(2)10-12-25)20-14-23-21(15-22-20)26-7-3-4-8-26/h5-6,13-15H,3-4,7-12,16H2,1-2H3
InChIKeyJETBGCGLFCLXNS-UHFFFAOYSA-N
XLogP2.80
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine?
The IUPAC name of 2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine (CID 146252701) is 2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine.
What is the SMILES notation for 2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine?
The canonical SMILES for 2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine is Cc1cc(-c2cnc(N3CCCC3)cn2)ccc1CN1CCN(C)CC1.
What is the InChIKey of 2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine?
The InChIKey is JETBGCGLFCLXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-17-13-18(5-6-19(17)16-25-11-9-24(2)10-12-25)20-14-23-21(15-22-20)26-7-3-4-8-26/h5-6,13-15H,3-4,7-12,16H2,1-2H3.
What are the key properties of 2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine?
2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine has a molecular weight of 351.50 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine is sourced from PubChem (CID 146252701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).