(5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone

C20H21F2N5O — CID 57396622

IUPAC(5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESNc1cccc2nc(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)cn12
InChIInChI=1S/C20H21F2N5O/c21-15-5-4-14(16(22)12-15)6-7-25-8-10-26(11-9-25)20(28)17-13-27-18(23)2-1-3-19(27)24-17/h1-5,12-13H,6-11,23H2
InChIKeyCUHUXDJQZFAQIK-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.20
Rot. Bonds4

About (5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone

(5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 57396622) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is (5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
PubChem CID57396622
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC Name(5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESNc1cccc2nc(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)cn12
InChIInChI=1S/C20H21F2N5O/c21-15-5-4-14(16(22)12-15)6-7-25-8-10-26(11-9-25)20(28)17-13-27-18(23)2-1-3-19(27)24-17/h1-5,12-13H,6-11,23H2
InChIKeyCUHUXDJQZFAQIK-UHFFFAOYSA-N
XLogP2.20
TPSA66.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone (CID 57396622) is (5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone is Nc1cccc2nc(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)cn12.
What is the InChIKey of (5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is CUHUXDJQZFAQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c21-15-5-4-14(16(22)12-15)6-7-25-8-10-26(11-9-25)20(28)17-13-27-18(23)2-1-3-19(27)24-17/h1-5,12-13H,6-11,23H2.
What are the key properties of (5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
(5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 385.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminoimidazo[1,2-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 57396622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).