6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C24H21N7O2S — CID 84973051

IUPAC6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5cc(C#N)ccc5n4)c3)sc2C1
InChIInChI=1S/C24H21N7O2S/c1-30-8-7-18-20(14-30)34-24(28-18)29-22(32)17-4-2-3-15(9-17)11-26-23(33)19-13-31-12-16(10-25)5-6-21(31)27-19/h2-6,9,12-13H,7-8,11,14H2,1H3,(H,26,33)(H,28,29,32)
InChIKeyZKEOGVJHOPVXKV-UHFFFAOYSA-N
MW471.55 g/mol
LogP2.83
Rot. Bonds5

About 6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 84973051) has the molecular formula C24H21N7O2S and a molecular weight of 471.55 g/mol. Its IUPAC name is 6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID84973051
Molecular FormulaC24H21N7O2S
Molecular Weight471.55 g/mol
Exact Mass471.15
IUPAC Name6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5cc(C#N)ccc5n4)c3)sc2C1
InChIInChI=1S/C24H21N7O2S/c1-30-8-7-18-20(14-30)34-24(28-18)29-22(32)17-4-2-3-15(9-17)11-26-23(33)19-13-31-12-16(10-25)5-6-21(31)27-19/h2-6,9,12-13H,7-8,11,14H2,1H3,(H,26,33)(H,28,29,32)
InChIKeyZKEOGVJHOPVXKV-UHFFFAOYSA-N
XLogP2.83
TPSA115.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 84973051) is 6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5cc(C#N)ccc5n4)c3)sc2C1.
What is the InChIKey of 6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is ZKEOGVJHOPVXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2S/c1-30-8-7-18-20(14-30)34-24(28-18)29-22(32)17-4-2-3-15(9-17)11-26-23(33)19-13-31-12-16(10-25)5-6-21(31)27-19/h2-6,9,12-13H,7-8,11,14H2,1H3,(H,26,33)(H,28,29,32).
What are the key properties of 6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 471.55 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 84973051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).