[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone

C23H28FN5O2 — CID 42876567

IUPAC[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOc1ccc(F)cc1-c1ccc2nc(C(=O)N3CCN(CCN(C)C)CC3)cn2c1
InChIInChI=1S/C23H28FN5O2/c1-26(2)8-9-27-10-12-28(13-11-27)23(30)20-16-29-15-17(4-7-22(29)25-20)19-14-18(24)5-6-21(19)31-3/h4-7,14-16H,8-13H2,1-3H3
InChIKeyAENHZGYVIKKCDV-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.47
Rot. Bonds6

About [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone

[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 42876567) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID42876567
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOc1ccc(F)cc1-c1ccc2nc(C(=O)N3CCN(CCN(C)C)CC3)cn2c1
InChIInChI=1S/C23H28FN5O2/c1-26(2)8-9-27-10-12-28(13-11-27)23(30)20-16-29-15-17(4-7-22(29)25-20)19-14-18(24)5-6-21(19)31-3/h4-7,14-16H,8-13H2,1-3H3
InChIKeyAENHZGYVIKKCDV-UHFFFAOYSA-N
XLogP2.47
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone (CID 42876567) is [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone is COc1ccc(F)cc1-c1ccc2nc(C(=O)N3CCN(CCN(C)C)CC3)cn2c1.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is AENHZGYVIKKCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-26(2)8-9-27-10-12-28(13-11-27)23(30)20-16-29-15-17(4-7-22(29)25-20)19-14-18(24)5-6-21(19)31-3/h4-7,14-16H,8-13H2,1-3H3.
What are the key properties of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 425.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 42876567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).