N-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine

C21H25N3 — CID 58564450

IUPACN-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cccn2c(NC3CCCC3)c(C(C)c3ccccc3)nc12
InChIInChI=1S/C21H25N3/c1-15-9-8-14-24-20(15)23-19(16(2)17-10-4-3-5-11-17)21(24)22-18-12-6-7-13-18/h3-5,8-11,14,16,18,22H,6-7,12-13H2,1-2H3
InChIKeyMPUNWKAPKJURGL-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.15
Rot. Bonds4

About N-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine

N-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 58564450) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID58564450
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cccn2c(NC3CCCC3)c(C(C)c3ccccc3)nc12
InChIInChI=1S/C21H25N3/c1-15-9-8-14-24-20(15)23-19(16(2)17-10-4-3-5-11-17)21(24)22-18-12-6-7-13-18/h3-5,8-11,14,16,18,22H,6-7,12-13H2,1-2H3
InChIKeyMPUNWKAPKJURGL-UHFFFAOYSA-N
XLogP5.15
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine (CID 58564450) is N-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine is Cc1cccn2c(NC3CCCC3)c(C(C)c3ccccc3)nc12.
What is the InChIKey of N-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is MPUNWKAPKJURGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-15-9-8-14-24-20(15)23-19(16(2)17-10-4-3-5-11-17)21(24)22-18-12-6-7-13-18/h3-5,8-11,14,16,18,22H,6-7,12-13H2,1-2H3.
What are the key properties of N-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
N-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 319.45 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-8-methyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 58564450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).