7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine

C17H19N5 — CID 175888449

IUPAC7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCN1CCN(c2ccnc3c(-c4ccccn4)c[nH]c23)CC1
InChIInChI=1S/C17H19N5/c1-21-8-10-22(11-9-21)15-5-7-19-16-13(12-20-17(15)16)14-4-2-3-6-18-14/h2-7,12,20H,8-11H2,1H3
InChIKeyXWSUUSFCZMSKEP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.38
Rot. Bonds2

About 7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine

7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 175888449) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine
PubChem CID175888449
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCN1CCN(c2ccnc3c(-c4ccccn4)c[nH]c23)CC1
InChIInChI=1S/C17H19N5/c1-21-8-10-22(11-9-21)15-5-7-19-16-13(12-20-17(15)16)14-4-2-3-6-18-14/h2-7,12,20H,8-11H2,1H3
InChIKeyXWSUUSFCZMSKEP-UHFFFAOYSA-N
XLogP2.38
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine (CID 175888449) is 7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine is CN1CCN(c2ccnc3c(-c4ccccn4)c[nH]c23)CC1.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is XWSUUSFCZMSKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-21-8-10-22(11-9-21)15-5-7-19-16-13(12-20-17(15)16)14-4-2-3-6-18-14/h2-7,12,20H,8-11H2,1H3.
What are the key properties of 7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine?
7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 293.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 175888449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).