4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide

C25H28N6OS — CID 24987060

IUPAC4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide
SMILESCC(C)N1CCN(c2ccc(Nc3ccc(-c4csc(C(N)=O)c4)n4ccnc34)cc2)CC1
InChIInChI=1S/C25H28N6OS/c1-17(2)29-11-13-30(14-12-29)20-5-3-19(4-6-20)28-21-7-8-22(31-10-9-27-25(21)31)18-15-23(24(26)32)33-16-18/h3-10,15-17,28H,11-14H2,1-2H3,(H2,26,32)
InChIKeyYKVJEJIPAAGHET-UHFFFAOYSA-N
MW460.61 g/mol
LogP4.44
Rot. Bonds6

About 4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide

4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide (PubChem CID 24987060) has the molecular formula C25H28N6OS and a molecular weight of 460.61 g/mol. Its IUPAC name is 4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide
PubChem CID24987060
Molecular FormulaC25H28N6OS
Molecular Weight460.61 g/mol
Exact Mass460.20
IUPAC Name4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide
SMILESCC(C)N1CCN(c2ccc(Nc3ccc(-c4csc(C(N)=O)c4)n4ccnc34)cc2)CC1
InChIInChI=1S/C25H28N6OS/c1-17(2)29-11-13-30(14-12-29)20-5-3-19(4-6-20)28-21-7-8-22(31-10-9-27-25(21)31)18-15-23(24(26)32)33-16-18/h3-10,15-17,28H,11-14H2,1-2H3,(H2,26,32)
InChIKeyYKVJEJIPAAGHET-UHFFFAOYSA-N
XLogP4.44
TPSA78.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.61
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide?
The IUPAC name of 4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide (CID 24987060) is 4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide is CC(C)N1CCN(c2ccc(Nc3ccc(-c4csc(C(N)=O)c4)n4ccnc34)cc2)CC1.
What is the InChIKey of 4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide?
The InChIKey is YKVJEJIPAAGHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6OS/c1-17(2)29-11-13-30(14-12-29)20-5-3-19(4-6-20)28-21-7-8-22(31-10-9-27-25(21)31)18-15-23(24(26)32)33-16-18/h3-10,15-17,28H,11-14H2,1-2H3,(H2,26,32).
What are the key properties of 4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide?
4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide has a molecular weight of 460.61 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24987060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).