7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C26H25N7O2S — CID 84973053

IUPAC7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(C#N)cc5n4)c3)sc2C1
InChIInChI=1S/C26H25N7O2S/c1-32(2)19-6-7-20-22(12-19)36-26(30-20)31-24(34)18-5-3-4-17(10-18)14-28-25(35)21-15-33-9-8-16(13-27)11-23(33)29-21/h3-5,8-11,15,19H,6-7,12,14H2,1-2H3,(H,28,35)(H,30,31,34)/t19-/m0/s1
InChIKeySMTUGKANBCZJAW-IBGZPJMESA-N
MW499.60 g/mol
LogP3.26
Rot. Bonds6

About 7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 84973053) has the molecular formula C26H25N7O2S and a molecular weight of 499.60 g/mol. Its IUPAC name is 7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID84973053
Molecular FormulaC26H25N7O2S
Molecular Weight499.60 g/mol
Exact Mass499.18
IUPAC Name7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(C#N)cc5n4)c3)sc2C1
InChIInChI=1S/C26H25N7O2S/c1-32(2)19-6-7-20-22(12-19)36-26(30-20)31-24(34)18-5-3-4-17(10-18)14-28-25(35)21-15-33-9-8-16(13-27)11-23(33)29-21/h3-5,8-11,15,19H,6-7,12,14H2,1-2H3,(H,28,35)(H,30,31,34)/t19-/m0/s1
InChIKeySMTUGKANBCZJAW-IBGZPJMESA-N
XLogP3.26
TPSA115.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-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 7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 84973053) is 7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(C#N)cc5n4)c3)sc2C1.
What is the InChIKey of 7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is SMTUGKANBCZJAW-IBGZPJMESA-N. The full InChI is InChI=1S/C26H25N7O2S/c1-32(2)19-6-7-20-22(12-19)36-26(30-20)31-24(34)18-5-3-4-17(10-18)14-28-25(35)21-15-33-9-8-16(13-27)11-23(33)29-21/h3-5,8-11,15,19H,6-7,12,14H2,1-2H3,(H,28,35)(H,30,31,34)/t19-/m0/s1.
What are the key properties of 7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 499.60 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 84973053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).