N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C23H20N4O3S — CID 55885300

IUPACN-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)s1)c1ccco1
InChIInChI=1S/C23H20N4O3S/c28-22(18-7-4-12-30-18)26-21-10-9-19(31-21)23(29)24-16-6-3-5-15(13-16)17-14-27-11-2-1-8-20(27)25-17/h3-7,9-10,12-14H,1-2,8,11H2,(H,24,29)(H,26,28)
InChIKeyDSGCPKPBDMHGKQ-UHFFFAOYSA-N
MW432.51 g/mol
LogP5.05
Rot. Bonds5

About N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 55885300) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID55885300
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)s1)c1ccco1
InChIInChI=1S/C23H20N4O3S/c28-22(18-7-4-12-30-18)26-21-10-9-19(31-21)23(29)24-16-6-3-5-15(13-16)17-14-27-11-2-1-8-20(27)25-17/h3-7,9-10,12-14H,1-2,8,11H2,(H,24,29)(H,26,28)
InChIKeyDSGCPKPBDMHGKQ-UHFFFAOYSA-N
XLogP5.05
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 55885300) is N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)s1)c1ccco1.
What is the InChIKey of N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is DSGCPKPBDMHGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c28-22(18-7-4-12-30-18)26-21-10-9-19(31-21)23(29)24-16-6-3-5-15(13-16)17-14-27-11-2-1-8-20(27)25-17/h3-7,9-10,12-14H,1-2,8,11H2,(H,24,29)(H,26,28).
What are the key properties of N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55885300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).