[4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol

C24H25N3OS — CID 66624284

IUPAC[4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol
SMILESCC(c1ccc(-c2cn3cc(-c4csc(CO)c4)ccc3n2)cc1)N1CCCC1
InChIInChI=1S/C24H25N3OS/c1-17(26-10-2-3-11-26)18-4-6-19(7-5-18)23-14-27-13-20(8-9-24(27)25-23)21-12-22(15-28)29-16-21/h4-9,12-14,16-17,28H,2-3,10-11,15H2,1H3
InChIKeyCEKYLBHZZOBNSF-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.38
Rot. Bonds5

About [4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol

[4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol (PubChem CID 66624284) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is [4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol
PubChem CID66624284
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC Name[4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol
SMILESCC(c1ccc(-c2cn3cc(-c4csc(CO)c4)ccc3n2)cc1)N1CCCC1
InChIInChI=1S/C24H25N3OS/c1-17(26-10-2-3-11-26)18-4-6-19(7-5-18)23-14-27-13-20(8-9-24(27)25-23)21-12-22(15-28)29-16-21/h4-9,12-14,16-17,28H,2-3,10-11,15H2,1H3
InChIKeyCEKYLBHZZOBNSF-UHFFFAOYSA-N
XLogP5.38
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol?
The IUPAC name of [4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol (CID 66624284) is [4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol.
What is the SMILES notation for [4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol?
The canonical SMILES for [4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol is CC(c1ccc(-c2cn3cc(-c4csc(CO)c4)ccc3n2)cc1)N1CCCC1.
What is the InChIKey of [4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol?
The InChIKey is CEKYLBHZZOBNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-17(26-10-2-3-11-26)18-4-6-19(7-5-18)23-14-27-13-20(8-9-24(27)25-23)21-12-22(15-28)29-16-21/h4-9,12-14,16-17,28H,2-3,10-11,15H2,1H3.
What are the key properties of [4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol?
[4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol has a molecular weight of 403.55 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 66624284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).