3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one

C22H26ClN5O2 — CID 60599356

IUPAC3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(Cl)cc1NCCC(=O)N1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C22H26ClN5O2/c1-30-20-6-5-17(23)14-19(20)24-8-7-22(29)27-12-10-26(11-13-27)15-18-16-28-9-3-2-4-21(28)25-18/h2-6,9,14,16,24H,7-8,10-13,15H2,1H3
InChIKeySDSKXKFQZCIJGD-UHFFFAOYSA-N
MW427.94 g/mol
LogP3.14
Rot. Bonds7

About 3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one

3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 60599356) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID60599356
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(Cl)cc1NCCC(=O)N1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C22H26ClN5O2/c1-30-20-6-5-17(23)14-19(20)24-8-7-22(29)27-12-10-26(11-13-27)15-18-16-28-9-3-2-4-21(28)25-18/h2-6,9,14,16,24H,7-8,10-13,15H2,1H3
InChIKeySDSKXKFQZCIJGD-UHFFFAOYSA-N
XLogP3.14
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one
CID 75418068
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-4-(methylamino)butan-1-one
CID 119837382
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119837381
ethyl 4-[3-(5-chloro-2-methoxyanilino)propanoyl]piperazine-1-carboxylate
CID 47824668
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 71944000
3-(5-chloro-2-methoxyanilino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561086
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(5-chloro-2-methoxyanilino)propan-1-one
CID 120655428
3-(5-chloro-2-methoxyanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027259
2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119837375
2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 6464477
methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate
CID 94393972
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-2-methoxyanilino)propan-1-one;dihydrochloride
CID 119413450

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one (CID 60599356) is 3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one is COc1ccc(Cl)cc1NCCC(=O)N1CCN(Cc2cn3ccccc3n2)CC1.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is SDSKXKFQZCIJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-30-20-6-5-17(23)14-19(20)24-8-7-22(29)27-12-10-26(11-13-27)15-18-16-28-9-3-2-4-21(28)25-18/h2-6,9,14,16,24H,7-8,10-13,15H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one?
3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 427.94 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 60599356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).