2-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-2,6-dicarboxamide

C24H23N7O3S — CID 84973084

IUPAC2-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-2,6-dicarboxamide
SMILESCN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1
InChIInChI=1S/C24H23N7O3S/c1-30-8-7-17-19(13-30)35-24(28-17)29-22(33)15-4-2-3-14(9-15)10-26-23(34)18-12-31-11-16(21(25)32)5-6-20(31)27-18/h2-6,9,11-12H,7-8,10,13H2,1H3,(H2,25,32)(H,26,34)(H,28,29,33)
InChIKeyPHSLBQWDVNSASJ-UHFFFAOYSA-N
MW489.56 g/mol
LogP2.06
Rot. Bonds6

About 2-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-2,6-dicarboxamide

2-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-2,6-dicarboxamide (PubChem CID 84973084) has the molecular formula C24H23N7O3S and a molecular weight of 489.56 g/mol. Its IUPAC name is 2-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-2,6-dicarboxamide.

Molecular Properties

Compound Name2-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-2,6-dicarboxamide
PubChem CID84973084
Molecular FormulaC24H23N7O3S
Molecular Weight489.56 g/mol
Exact Mass489.16
IUPAC Name2-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-2,6-dicarboxamide
SMILESCN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1
InChIInChI=1S/C24H23N7O3S/c1-30-8-7-17-19(13-30)35-24(28-17)29-22(33)15-4-2-3-14(9-15)10-26-23(34)18-12-31-11-16(21(25)32)5-6-20(31)27-18/h2-6,9,11-12H,7-8,10,13H2,1H3,(H2,25,32)(H,26,34)(H,28,29,33)
InChIKeyPHSLBQWDVNSASJ-UHFFFAOYSA-N
XLogP2.06
TPSA134.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-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-2,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-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-2,6-dicarboxamide?
The IUPAC name of 2-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-2,6-dicarboxamide (CID 84973084) is 2-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-2,6-dicarboxamide.
What is the SMILES notation for 2-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-2,6-dicarboxamide?
The canonical SMILES for 2-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-2,6-dicarboxamide is CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1.
What is the InChIKey of 2-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-2,6-dicarboxamide?
The InChIKey is PHSLBQWDVNSASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3S/c1-30-8-7-17-19(13-30)35-24(28-17)29-22(33)15-4-2-3-14(9-15)10-26-23(34)18-12-31-11-16(21(25)32)5-6-20(31)27-18/h2-6,9,11-12H,7-8,10,13H2,1H3,(H2,25,32)(H,26,34)(H,28,29,33).
What are the key properties of 2-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-2,6-dicarboxamide?
2-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-2,6-dicarboxamide has a molecular weight of 489.56 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-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-2,6-dicarboxamide is sourced from PubChem (CID 84973084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).