N-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide

C23H21N5O2S — CID 143716777

IUPACN-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccsc2)nc2c(C(=O)N3CCC(c4ccccn4)C3)cccn12
InChIInChI=1S/C23H21N5O2S/c1-24-22(29)20-19(16-8-12-31-14-16)26-21-17(5-4-10-28(20)21)23(30)27-11-7-15(13-27)18-6-2-3-9-25-18/h2-6,8-10,12,14-15H,7,11,13H2,1H3,(H,24,29)
InChIKeyHFAOLTWGRGMNDN-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.45
Rot. Bonds4

About N-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide

N-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 143716777) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID143716777
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccsc2)nc2c(C(=O)N3CCC(c4ccccn4)C3)cccn12
InChIInChI=1S/C23H21N5O2S/c1-24-22(29)20-19(16-8-12-31-14-16)26-21-17(5-4-10-28(20)21)23(30)27-11-7-15(13-27)18-6-2-3-9-25-18/h2-6,8-10,12,14-15H,7,11,13H2,1H3,(H,24,29)
InChIKeyHFAOLTWGRGMNDN-UHFFFAOYSA-N
XLogP3.45
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 143716777) is N-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccsc2)nc2c(C(=O)N3CCC(c4ccccn4)C3)cccn12.
What is the InChIKey of N-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HFAOLTWGRGMNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-24-22(29)20-19(16-8-12-31-14-16)26-21-17(5-4-10-28(20)21)23(30)27-11-7-15(13-27)18-6-2-3-9-25-18/h2-6,8-10,12,14-15H,7,11,13H2,1H3,(H,24,29).
What are the key properties of N-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
N-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 143716777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).