5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide

C27H28ClN5O3S — CID 67438503

IUPAC5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
SMILESCC(=O)N1CCN(Cc2ccc3ncc(-c4cc(O[C@H](C)c5ccccc5Cl)c(C(N)=O)s4)n3c2)CC1
InChIInChI=1S/C27H28ClN5O3S/c1-17(20-5-3-4-6-21(20)28)36-23-13-24(37-26(23)27(29)35)22-14-30-25-8-7-19(16-33(22)25)15-31-9-11-32(12-10-31)18(2)34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,29,35)/t17-/m1/s1
InChIKeySLDMYSBDAXHLDQ-QGZVFWFLSA-N
MW538.07 g/mol
LogP4.62
Rot. Bonds7

About 5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide

5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide (PubChem CID 67438503) has the molecular formula C27H28ClN5O3S and a molecular weight of 538.07 g/mol. Its IUPAC name is 5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
PubChem CID67438503
Molecular FormulaC27H28ClN5O3S
Molecular Weight538.07 g/mol
Exact Mass537.16
IUPAC Name5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
SMILESCC(=O)N1CCN(Cc2ccc3ncc(-c4cc(O[C@H](C)c5ccccc5Cl)c(C(N)=O)s4)n3c2)CC1
InChIInChI=1S/C27H28ClN5O3S/c1-17(20-5-3-4-6-21(20)28)36-23-13-24(37-26(23)27(29)35)22-14-30-25-8-7-19(16-33(22)25)15-31-9-11-32(12-10-31)18(2)34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,29,35)/t17-/m1/s1
InChIKeySLDMYSBDAXHLDQ-QGZVFWFLSA-N
XLogP4.62
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.07
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The IUPAC name of 5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide (CID 67438503) is 5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide is CC(=O)N1CCN(Cc2ccc3ncc(-c4cc(O[C@H](C)c5ccccc5Cl)c(C(N)=O)s4)n3c2)CC1.
What is the InChIKey of 5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The InChIKey is SLDMYSBDAXHLDQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H28ClN5O3S/c1-17(20-5-3-4-6-21(20)28)36-23-13-24(37-26(23)27(29)35)22-14-30-25-8-7-19(16-33(22)25)15-31-9-11-32(12-10-31)18(2)34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,29,35)/t17-/m1/s1.
What are the key properties of 5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide has a molecular weight of 538.07 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 67438503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).