pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone

C22H18N6OS2 — CID 22032238

IUPACpyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone
SMILESO=C(c1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)s1)N1CCCC1
InChIInChI=1S/C22H18N6OS2/c29-22(27-8-1-2-9-27)18-5-4-17(31-18)20-15(11-25-26-20)14-3-6-19-24-12-16(28(19)13-14)21-23-7-10-30-21/h3-7,10-13H,1-2,8-9H2,(H,25,26)
InChIKeyQFBNKUCFCDKQJQ-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.81
Rot. Bonds4

About pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone

pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone (PubChem CID 22032238) has the molecular formula C22H18N6OS2 and a molecular weight of 446.56 g/mol. Its IUPAC name is pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone
PubChem CID22032238
Molecular FormulaC22H18N6OS2
Molecular Weight446.56 g/mol
Exact Mass446.10
IUPAC Namepyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone
SMILESO=C(c1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)s1)N1CCCC1
InChIInChI=1S/C22H18N6OS2/c29-22(27-8-1-2-9-27)18-5-4-17(31-18)20-15(11-25-26-20)14-3-6-19-24-12-16(28(19)13-14)21-23-7-10-30-21/h3-7,10-13H,1-2,8-9H2,(H,25,26)
InChIKeyQFBNKUCFCDKQJQ-UHFFFAOYSA-N
XLogP4.81
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone (CID 22032238) is pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone is O=C(c1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)s1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone?
The InChIKey is QFBNKUCFCDKQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6OS2/c29-22(27-8-1-2-9-27)18-5-4-17(31-18)20-15(11-25-26-20)14-3-6-19-24-12-16(28(19)13-14)21-23-7-10-30-21/h3-7,10-13H,1-2,8-9H2,(H,25,26).
What are the key properties of pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone?
pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone has a molecular weight of 446.56 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 22032238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).