N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide

C22H31N5O2S — CID 90381452

IUPACN-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC1NC(C(=O)N2CCC(CCCCNC(=O)c3ccc4nccn4c3)CC2)CS1
InChIInChI=1S/C22H31N5O2S/c1-16-25-19(15-30-16)22(29)26-11-7-17(8-12-26)4-2-3-9-24-21(28)18-5-6-20-23-10-13-27(20)14-18/h5-6,10,13-14,16-17,19,25H,2-4,7-9,11-12,15H2,1H3,(H,24,28)
InChIKeyVSPKOFKUABKYHK-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.52
Rot. Bonds7

About N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 90381452) has the molecular formula C22H31N5O2S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID90381452
Molecular FormulaC22H31N5O2S
Molecular Weight429.59 g/mol
Exact Mass429.22
IUPAC NameN-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC1NC(C(=O)N2CCC(CCCCNC(=O)c3ccc4nccn4c3)CC2)CS1
InChIInChI=1S/C22H31N5O2S/c1-16-25-19(15-30-16)22(29)26-11-7-17(8-12-26)4-2-3-9-24-21(28)18-5-6-20-23-10-13-27(20)14-18/h5-6,10,13-14,16-17,19,25H,2-4,7-9,11-12,15H2,1H3,(H,24,28)
InChIKeyVSPKOFKUABKYHK-UHFFFAOYSA-N
XLogP2.52
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 90381452) is N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is CC1NC(C(=O)N2CCC(CCCCNC(=O)c3ccc4nccn4c3)CC2)CS1.
What is the InChIKey of N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is VSPKOFKUABKYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S/c1-16-25-19(15-30-16)22(29)26-11-7-17(8-12-26)4-2-3-9-24-21(28)18-5-6-20-23-10-13-27(20)14-18/h5-6,10,13-14,16-17,19,25H,2-4,7-9,11-12,15H2,1H3,(H,24,28).
What are the key properties of N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 90381452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).