[2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone

C22H24F2N4O — CID 162759423

IUPAC[2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESCc1c(F)cccc1-c1ccc2nc(NCCN(C)C)c(C(=O)[C@@H]3C[C@@H]3F)n2c1
InChIInChI=1S/C22H24F2N4O/c1-13-15(5-4-6-17(13)23)14-7-8-19-26-22(25-9-10-27(2)3)20(28(19)12-14)21(29)16-11-18(16)24/h4-8,12,16,18,25H,9-11H2,1-3H3/t16-,18+/m1/s1
InChIKeyJKKYEOPNCGASNE-AEFFLSMTSA-N
MW398.46 g/mol
LogP3.96
Rot. Bonds7

About [2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone

[2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone (PubChem CID 162759423) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
PubChem CID162759423
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC Name[2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESCc1c(F)cccc1-c1ccc2nc(NCCN(C)C)c(C(=O)[C@@H]3C[C@@H]3F)n2c1
InChIInChI=1S/C22H24F2N4O/c1-13-15(5-4-6-17(13)23)14-7-8-19-26-22(25-9-10-27(2)3)20(28(19)12-14)21(29)16-11-18(16)24/h4-8,12,16,18,25H,9-11H2,1-3H3/t16-,18+/m1/s1
InChIKeyJKKYEOPNCGASNE-AEFFLSMTSA-N
XLogP3.96
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

fluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 162759433
[2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 164709553
trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155081931
tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate
CID 162759494
2-fluoro-N-[6-(2-fluoro-6-methylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686114
acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone
CID 164967361
6-(3-fluoro-2-methylphenyl)-3-methylimidazo[1,2-a]pyridin-2-amine
CID 162759644
N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686082
cis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 154686129
cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 155069438
2-fluoro-N-[6-(3-fluoro-2-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686207
fluoromethane;N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;molecular hydrogen
CID 154686437

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The IUPAC name of [2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone (CID 162759423) is [2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone.
What is the SMILES notation for [2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The canonical SMILES for [2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone is Cc1c(F)cccc1-c1ccc2nc(NCCN(C)C)c(C(=O)[C@@H]3C[C@@H]3F)n2c1.
What is the InChIKey of [2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The InChIKey is JKKYEOPNCGASNE-AEFFLSMTSA-N. The full InChI is InChI=1S/C22H24F2N4O/c1-13-15(5-4-6-17(13)23)14-7-8-19-26-22(25-9-10-27(2)3)20(28(19)12-14)21(29)16-11-18(16)24/h4-8,12,16,18,25H,9-11H2,1-3H3/t16-,18+/m1/s1.
What are the key properties of [2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
[2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone has a molecular weight of 398.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 162759423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).