4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline

C18H21N5 — CID 162371943

IUPAC4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline
SMILESCN1CCN(c2ccn3c(-c4ccc(N)cc4)cnc3c2)CC1
InChIInChI=1S/C18H21N5/c1-21-8-10-22(11-9-21)16-6-7-23-17(13-20-18(23)12-16)14-2-4-15(19)5-3-14/h2-7,12-13H,8-11,19H2,1H3
InChIKeyVTQCZYFPGJCIEB-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.34
Rot. Bonds2

About 4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline

4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline (PubChem CID 162371943) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline.

Molecular Properties

Compound Name4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline
PubChem CID162371943
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline
SMILESCN1CCN(c2ccn3c(-c4ccc(N)cc4)cnc3c2)CC1
InChIInChI=1S/C18H21N5/c1-21-8-10-22(11-9-21)16-6-7-23-17(13-20-18(23)12-16)14-2-4-15(19)5-3-14/h2-7,12-13H,8-11,19H2,1H3
InChIKeyVTQCZYFPGJCIEB-UHFFFAOYSA-N
XLogP2.34
TPSA49.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline?
The IUPAC name of 4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline (CID 162371943) is 4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline.
What is the SMILES notation for 4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline?
The canonical SMILES for 4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline is CN1CCN(c2ccn3c(-c4ccc(N)cc4)cnc3c2)CC1.
What is the InChIKey of 4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline?
The InChIKey is VTQCZYFPGJCIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-21-8-10-22(11-9-21)16-6-7-23-17(13-20-18(23)12-16)14-2-4-15(19)5-3-14/h2-7,12-13H,8-11,19H2,1H3.
What are the key properties of 4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline?
4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline has a molecular weight of 307.40 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline is sourced from PubChem (CID 162371943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).