[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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Related Compounds

Telacebec
CID 68234908
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N1-((4-methoxyphenyl)methyl)-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine (1:1)
CID 162821
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
Dipyridodiazepinone deriv. 56
CID 463576
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Aminoimidazo[1,2-a]pyridine deriv. 38
CID 5330617
Aminoimidazo[1,2-a]pyridine deriv. 10
CID 5330632
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 11675867
3-(Cyclopropylmethyl)-8-methoxy-1-[(4-methylphenyl)methyl]purino[7,8-a]pyridine-2,4-dione
CID 24878975
3-(Cyclopropylmethyl)-8-methoxy-1-[(3-methoxyphenyl)methyl]purino[7,8-a]pyridine-2,4-dione
CID 137635053

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).