3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide

C24H22N6OS — CID 97446932

About 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide

3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide (PubChem CID 97446932) has the molecular formula C24H22N6OS and a molecular weight of 442.55 g/mol. Its IUPAC name is 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide
• PubChem CID: 97446932
• Molecular Formula: C24H22N6OS
• Molecular Weight: 442.55 g/mol
• Exact Mass: 442.16
• IUPAC Name: 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide
• SMILES: Cc1nc(Cn2cnc(-c3cc(C(=O)NCCc4ccccn4)c4ccccn34)c2)cs1
• InChI: InChI=1S/C24H22N6OS/c1-17-28-19(15-32-17)13-29-14-21(27-16-29)23-12-20(22-7-3-5-11-30(22)23)24(31)26-10-8-18-6-2-4-9-25-18/h2-7,9,11-12,14-16H,8,10,13H2,1H3,(H,26,31)
• InChIKey: QSEAVYLIWGPTFN-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.55
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide?

The IUPAC name of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide (CID 97446932) is 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide.

What is the SMILES notation for 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide?

The canonical SMILES for 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide is Cc1nc(Cn2cnc(-c3cc(C(=O)NCCc4ccccn4)c4ccccn34)c2)cs1.

What is the InChIKey of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide?

The InChIKey is QSEAVYLIWGPTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6OS/c1-17-28-19(15-32-17)13-29-14-21(27-16-29)23-12-20(22-7-3-5-11-30(22)23)24(31)26-10-8-18-6-2-4-9-25-18/h2-7,9,11-12,14-16H,8,10,13H2,1H3,(H,26,31).

What are the key properties of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide?

3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide has a molecular weight of 442.55 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide is sourced from PubChem (CID 97446932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).