4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine

C12H16N4 — CID 126518807

IUPAC4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine
SMILESCN1CCN(c2nccc3[nH]ccc23)CC1
InChIInChI=1S/C12H16N4/c1-15-6-8-16(9-7-15)12-10-2-4-13-11(10)3-5-14-12/h2-5,13H,6-9H2,1H3
InChIKeyUPPUYSJHEDJKMW-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.31
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine

4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine (PubChem CID 126518807) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine
PubChem CID126518807
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine
SMILESCN1CCN(c2nccc3[nH]ccc23)CC1
InChIInChI=1S/C12H16N4/c1-15-6-8-16(9-7-15)12-10-2-4-13-11(10)3-5-14-12/h2-5,13H,6-9H2,1H3
InChIKeyUPPUYSJHEDJKMW-UHFFFAOYSA-N
XLogP1.31
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine (CID 126518807) is 4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine is CN1CCN(c2nccc3[nH]ccc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is UPPUYSJHEDJKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-15-6-8-16(9-7-15)12-10-2-4-13-11(10)3-5-14-12/h2-5,13H,6-9H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine?
4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 216.29 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 126518807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).