1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone

C28H30Cl2FN7O2 — CID 123479139

IUPAC1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone
SMILESO=C(CNc1c(-c2ccc(N3CCOCC3)cc2)nc2n1C=C(F)CC2)N1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C28H30Cl2FN7O2/c29-22-15-32-16-23(30)27(22)37-9-7-36(8-10-37)25(39)17-33-28-26(34-24-6-3-20(31)18-38(24)28)19-1-4-21(5-2-19)35-11-13-40-14-12-35/h1-2,4-5,15-16,18,33H,3,6-14,17H2
InChIKeyLMMCDNINQYWBIA-UHFFFAOYSA-N
MW586.50 g/mol
LogP4.56
Rot. Bonds6

About 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone

1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone (PubChem CID 123479139) has the molecular formula C28H30Cl2FN7O2 and a molecular weight of 586.50 g/mol. Its IUPAC name is 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone
PubChem CID123479139
Molecular FormulaC28H30Cl2FN7O2
Molecular Weight586.50 g/mol
Exact Mass585.18
IUPAC Name1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone
SMILESO=C(CNc1c(-c2ccc(N3CCOCC3)cc2)nc2n1C=C(F)CC2)N1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C28H30Cl2FN7O2/c29-22-15-32-16-23(30)27(22)37-9-7-36(8-10-37)25(39)17-33-28-26(34-24-6-3-20(31)18-38(24)28)19-1-4-21(5-2-19)35-11-13-40-14-12-35/h1-2,4-5,15-16,18,33H,3,6-14,17H2
InChIKeyLMMCDNINQYWBIA-UHFFFAOYSA-N
XLogP4.56
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone with MolForge

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Related Compounds

4-Anilinopyrido[3,4-d]pyrimidine 31
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CID 72188683
2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-((3,5-dichloropyridin-4-yl)methyl)-N-(3-morpholinopropyl)acetamide
CID 54580026
1-ethyl-3-(4-(4-morpholino-6-(pyrimidin-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl)urea
CID 59239206
1-ethyl-3-[4-[7-(1-methylimidazol-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239348
N-[(1R)-2-[[5-chloro-2-(4-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]amino]-1-phenylethyl]-4-piperazin-1-ylbutanamide
CID 68347339
1-ethyl-3-[4-[5-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]urea
CID 72164184
[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 90656293
N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2-methoxyacetamide
CID 90656306
2-[2-(3-chlorophenyl)-4-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 86580550
2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 86580871
US10513523, Example 82
CID 154732883

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone?
The IUPAC name of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone (CID 123479139) is 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone.
What is the SMILES notation for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone?
The canonical SMILES for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone is O=C(CNc1c(-c2ccc(N3CCOCC3)cc2)nc2n1C=C(F)CC2)N1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone?
The InChIKey is LMMCDNINQYWBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2FN7O2/c29-22-15-32-16-23(30)27(22)37-9-7-36(8-10-37)25(39)17-33-28-26(34-24-6-3-20(31)18-38(24)28)19-1-4-21(5-2-19)35-11-13-40-14-12-35/h1-2,4-5,15-16,18,33H,3,6-14,17H2.
What are the key properties of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone?
1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone has a molecular weight of 586.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]amino]ethanone is sourced from PubChem (CID 123479139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).