4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid

C25H27N5O2S — CID 123449174

IUPAC4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid
SMILESCC(C)N1CCC(c2ccc(Nc3ncc(-c4csc(C(=O)O)c4)n4ccnc34)cc2)CC1
InChIInChI=1S/C25H27N5O2S/c1-16(2)29-10-7-18(8-11-29)17-3-5-20(6-4-17)28-23-24-26-9-12-30(24)21(14-27-23)19-13-22(25(31)32)33-15-19/h3-6,9,12-16,18H,7-8,10-11H2,1-2H3,(H,27,28)(H,31,32)
InChIKeyABGIAJRLNWKMRI-UHFFFAOYSA-N
MW461.59 g/mol
LogP5.49
Rot. Bonds6

About 4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid

4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid (PubChem CID 123449174) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is 4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid
PubChem CID123449174
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC Name4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid
SMILESCC(C)N1CCC(c2ccc(Nc3ncc(-c4csc(C(=O)O)c4)n4ccnc34)cc2)CC1
InChIInChI=1S/C25H27N5O2S/c1-16(2)29-10-7-18(8-11-29)17-3-5-20(6-4-17)28-23-24-26-9-12-30(24)21(14-27-23)19-13-22(25(31)32)33-15-19/h3-6,9,12-16,18H,7-8,10-11H2,1-2H3,(H,27,28)(H,31,32)
InChIKeyABGIAJRLNWKMRI-UHFFFAOYSA-N
XLogP5.49
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.59
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 59023121
4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide
CID 24987060
4-[8-[(2-piperazin-1-ylpyrimidin-5-yl)amino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 143578187
N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 135900472
5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-2H-isoindol-1-ol
CID 136655331
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 177249594
N-[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]acetamide
CID 176691997
3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
CID 58873935
4-hydroxy-N-[4-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]piperidine-1-carboxamide
CID 21070878
4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide
CID 59023095
2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-1-yl]iodanuidylisoindole-1,3-dione
CID 170751051
N-(4-methoxyphenyl)-3-phenylimidazo[1,2-a]pyrazin-8-amine
CID 11483908

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid (CID 123449174) is 4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid is CC(C)N1CCC(c2ccc(Nc3ncc(-c4csc(C(=O)O)c4)n4ccnc34)cc2)CC1.
What is the InChIKey of 4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid?
The InChIKey is ABGIAJRLNWKMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S/c1-16(2)29-10-7-18(8-11-29)17-3-5-20(6-4-17)28-23-24-26-9-12-30(24)21(14-27-23)19-13-22(25(31)32)33-15-19/h3-6,9,12-16,18H,7-8,10-11H2,1-2H3,(H,27,28)(H,31,32).
What are the key properties of 4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid?
4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid has a molecular weight of 461.59 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 123449174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).