7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C27H24N6O2 — CID 56600951

IUPAC7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(C#N)cc5n4)c3)cc2C1
InChIInChI=1S/C27H24N6O2/c1-32-9-8-20-5-6-23(13-22(20)16-32)30-26(34)21-4-2-3-19(11-21)15-29-27(35)24-17-33-10-7-18(14-28)12-25(33)31-24/h2-7,10-13,17H,8-9,15-16H2,1H3,(H,29,35)(H,30,34)
InChIKeyFJFMGJMDZFXQSX-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.38
Rot. Bonds5

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

7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 56600951) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID56600951
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Name7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(C#N)cc5n4)c3)cc2C1
InChIInChI=1S/C27H24N6O2/c1-32-9-8-20-5-6-23(13-22(20)16-32)30-26(34)21-4-2-3-19(11-21)15-29-27(35)24-17-33-10-7-18(14-28)12-25(33)31-24/h2-7,10-13,17H,8-9,15-16H2,1H3,(H,29,35)(H,30,34)
InChIKeyFJFMGJMDZFXQSX-UHFFFAOYSA-N
XLogP3.38
TPSA102.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 56600951) is 7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(C#N)cc5n4)c3)cc2C1.
What is the InChIKey of 7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is FJFMGJMDZFXQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c1-32-9-8-20-5-6-23(13-22(20)16-32)30-26(34)21-4-2-3-19(11-21)15-29-27(35)24-17-33-10-7-18(14-28)12-25(33)31-24/h2-7,10-13,17H,8-9,15-16H2,1H3,(H,29,35)(H,30,34).
What are the key properties of 7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 56600951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).