N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

C25H21N5O2S — CID 55737102

IUPACN-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)no1
InChIInChI=1S/C25H21N5O2S/c1-16-5-4-12-30-14-22(28-23(16)30)18-7-9-19(10-8-18)27-24(31)21-6-3-11-26-25(21)33-15-20-13-17(2)32-29-20/h3-14H,15H2,1-2H3,(H,27,31)
InChIKeyUPIGXHNWVPSZSG-UHFFFAOYSA-N
MW455.54 g/mol
LogP5.55
Rot. Bonds6

About N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 55737102) has the molecular formula C25H21N5O2S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID55737102
Molecular FormulaC25H21N5O2S
Molecular Weight455.54 g/mol
Exact Mass455.14
IUPAC NameN-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)no1
InChIInChI=1S/C25H21N5O2S/c1-16-5-4-12-30-14-22(28-23(16)30)18-7-9-19(10-8-18)27-24(31)21-6-3-11-26-25(21)33-15-20-13-17(2)32-29-20/h3-14H,15H2,1-2H3,(H,27,31)
InChIKeyUPIGXHNWVPSZSG-UHFFFAOYSA-N
XLogP5.55
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.54
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (CID 55737102) is N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)no1.
What is the InChIKey of N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is UPIGXHNWVPSZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2S/c1-16-5-4-12-30-14-22(28-23(16)30)18-7-9-19(10-8-18)27-24(31)21-6-3-11-26-25(21)33-15-20-13-17(2)32-29-20/h3-14H,15H2,1-2H3,(H,27,31).
What are the key properties of N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 55737102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).