4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline

C21H26N4 — CID 22015660

IUPAC4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESCc1cccn2cc(-c3ccc(NCCCN4CCCC4)cc3)nc12
InChIInChI=1S/C21H26N4/c1-17-6-4-15-25-16-20(23-21(17)25)18-7-9-19(10-8-18)22-11-5-14-24-12-2-3-13-24/h4,6-10,15-16,22H,2-3,5,11-14H2,1H3
InChIKeyVESGAVMFHGBAIP-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.21
Rot. Bonds6

About 4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline

4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline (PubChem CID 22015660) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline
PubChem CID22015660
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESCc1cccn2cc(-c3ccc(NCCCN4CCCC4)cc3)nc12
InChIInChI=1S/C21H26N4/c1-17-6-4-15-25-16-20(23-21(17)25)18-7-9-19(10-8-18)22-11-5-14-24-12-2-3-13-24/h4,6-10,15-16,22H,2-3,5,11-14H2,1H3
InChIKeyVESGAVMFHGBAIP-UHFFFAOYSA-N
XLogP4.21
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline?
The IUPAC name of 4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline (CID 22015660) is 4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline.
What is the SMILES notation for 4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline?
The canonical SMILES for 4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline is Cc1cccn2cc(-c3ccc(NCCCN4CCCC4)cc3)nc12.
What is the InChIKey of 4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline?
The InChIKey is VESGAVMFHGBAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-17-6-4-15-25-16-20(23-21(17)25)18-7-9-19(10-8-18)22-11-5-14-24-12-2-3-13-24/h4,6-10,15-16,22H,2-3,5,11-14H2,1H3.
What are the key properties of 4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline?
4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline has a molecular weight of 334.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)aniline is sourced from PubChem (CID 22015660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).