8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide

C23H30N6O2S — CID 143716739

IUPAC8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccsc2)nc2c(C(=O)N3CCN(CCCN(C)C)CC3)cccn12
InChIInChI=1S/C23H30N6O2S/c1-24-22(30)20-19(17-7-15-32-16-17)25-21-18(6-4-10-29(20)21)23(31)28-13-11-27(12-14-28)9-5-8-26(2)3/h4,6-7,10,15-16H,5,8-9,11-14H2,1-3H3,(H,24,30)
InChIKeyBBFHZGXSJOZIQH-UHFFFAOYSA-N
MW454.60 g/mol
LogP2.13
Rot. Bonds7

About 8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide

8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 143716739) has the molecular formula C23H30N6O2S and a molecular weight of 454.60 g/mol. Its IUPAC name is 8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID143716739
Molecular FormulaC23H30N6O2S
Molecular Weight454.60 g/mol
Exact Mass454.22
IUPAC Name8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccsc2)nc2c(C(=O)N3CCN(CCCN(C)C)CC3)cccn12
InChIInChI=1S/C23H30N6O2S/c1-24-22(30)20-19(17-7-15-32-16-17)25-21-18(6-4-10-29(20)21)23(31)28-13-11-27(12-14-28)9-5-8-26(2)3/h4,6-7,10,15-16H,5,8-9,11-14H2,1-3H3,(H,24,30)
InChIKeyBBFHZGXSJOZIQH-UHFFFAOYSA-N
XLogP2.13
TPSA73.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 143716739) is 8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccsc2)nc2c(C(=O)N3CCN(CCCN(C)C)CC3)cccn12.
What is the InChIKey of 8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BBFHZGXSJOZIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2S/c1-24-22(30)20-19(17-7-15-32-16-17)25-21-18(6-4-10-29(20)21)23(31)28-13-11-27(12-14-28)9-5-8-26(2)3/h4,6-7,10,15-16H,5,8-9,11-14H2,1-3H3,(H,24,30).
What are the key properties of 8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-N-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 143716739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).