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

C27H27N7O3S — CID 56598444

IUPAC2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1
InChIInChI=1S/C27H27N7O3S/c1-32-11-9-19-22(15-32)38-27(30-19)31-25(36)17-5-2-4-16(12-17)21-6-3-10-34(21)26(37)20-14-33-13-18(24(28)35)7-8-23(33)29-20/h2,4-5,7-8,12-14,21H,3,6,9-11,15H2,1H3,(H2,28,35)(H,30,31,36)/t21-/m1/s1
InChIKeyISODQVKLZILGBD-OAQYLSRUSA-N
MW529.63 g/mol
LogP3.11
Rot. Bonds5

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

2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 56598444) has the molecular formula C27H27N7O3S and a molecular weight of 529.63 g/mol. Its IUPAC name is 2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID56598444
Molecular FormulaC27H27N7O3S
Molecular Weight529.63 g/mol
Exact Mass529.19
IUPAC Name2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1
InChIInChI=1S/C27H27N7O3S/c1-32-11-9-19-22(15-32)38-27(30-19)31-25(36)17-5-2-4-16(12-17)21-6-3-10-34(21)26(37)20-14-33-13-18(24(28)35)7-8-23(33)29-20/h2,4-5,7-8,12-14,21H,3,6,9-11,15H2,1H3,(H2,28,35)(H,30,31,36)/t21-/m1/s1
InChIKeyISODQVKLZILGBD-OAQYLSRUSA-N
XLogP3.11
TPSA125.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.63
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 56598444) is 2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide is CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1.
What is the InChIKey of 2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ISODQVKLZILGBD-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H27N7O3S/c1-32-11-9-19-22(15-32)38-27(30-19)31-25(36)17-5-2-4-16(12-17)21-6-3-10-34(21)26(37)20-14-33-13-18(24(28)35)7-8-23(33)29-20/h2,4-5,7-8,12-14,21H,3,6,9-11,15H2,1H3,(H2,28,35)(H,30,31,36)/t21-/m1/s1.
What are the key properties of 2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide?
2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 529.63 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 56598444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).