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

C25H26ClN5O2S — CID 11627387

IUPAC3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-c2cnc3ccc(CN4CCNCC4)cn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C25H26ClN5O2S/c1-16(18-4-2-3-5-19(18)26)33-21-12-22(34-24(21)25(27)32)20-13-29-23-7-6-17(15-31(20)23)14-30-10-8-28-9-11-30/h2-7,12-13,15-16,28H,8-11,14H2,1H3,(H2,27,32)/t16-/m1/s1
InChIKeyCQCWFGPFJDTANJ-MRXNPFEDSA-N
MW496.04 g/mol
LogP4.36
Rot. Bonds7

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

3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 11627387) has the molecular formula C25H26ClN5O2S and a molecular weight of 496.04 g/mol. Its IUPAC name is 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
PubChem CID11627387
Molecular FormulaC25H26ClN5O2S
Molecular Weight496.04 g/mol
Exact Mass495.15
IUPAC Name3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-c2cnc3ccc(CN4CCNCC4)cn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C25H26ClN5O2S/c1-16(18-4-2-3-5-19(18)26)33-21-12-22(34-24(21)25(27)32)20-13-29-23-7-6-17(15-31(20)23)14-30-10-8-28-9-11-30/h2-7,12-13,15-16,28H,8-11,14H2,1H3,(H2,27,32)/t16-/m1/s1
InChIKeyCQCWFGPFJDTANJ-MRXNPFEDSA-N
XLogP4.36
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.04
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (CID 11627387) is 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is C[C@@H](Oc1cc(-c2cnc3ccc(CN4CCNCC4)cn23)sc1C(N)=O)c1ccccc1Cl.
What is the InChIKey of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The InChIKey is CQCWFGPFJDTANJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H26ClN5O2S/c1-16(18-4-2-3-5-19(18)26)33-21-12-22(34-24(21)25(27)32)20-13-29-23-7-6-17(15-31(20)23)14-30-10-8-28-9-11-30/h2-7,12-13,15-16,28H,8-11,14H2,1H3,(H2,27,32)/t16-/m1/s1.
What are the key properties of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 496.04 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 11627387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).