6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C24H23N7O2 — CID 171315307

IUPAC6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccccc1Cn1ccc(NC(=O)c2cc(-c3cn(C)nc3C)nc3onc(C)c23)n1
InChIInChI=1S/C24H23N7O2/c1-14-7-5-6-8-17(14)12-31-10-9-21(28-31)26-23(32)18-11-20(19-13-30(4)27-15(19)2)25-24-22(18)16(3)29-33-24/h5-11,13H,12H2,1-4H3,(H,26,28,32)
InChIKeyAFSACHMPJRSXTK-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.05
Rot. Bonds5

About 6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315307) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID171315307
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccccc1Cn1ccc(NC(=O)c2cc(-c3cn(C)nc3C)nc3onc(C)c23)n1
InChIInChI=1S/C24H23N7O2/c1-14-7-5-6-8-17(14)12-31-10-9-21(28-31)26-23(32)18-11-20(19-13-30(4)27-15(19)2)25-24-22(18)16(3)29-33-24/h5-11,13H,12H2,1-4H3,(H,26,28,32)
InChIKeyAFSACHMPJRSXTK-UHFFFAOYSA-N
XLogP4.05
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315307) is 6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccccc1Cn1ccc(NC(=O)c2cc(-c3cn(C)nc3C)nc3onc(C)c23)n1.
What is the InChIKey of 6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AFSACHMPJRSXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-14-7-5-6-8-17(14)12-31-10-9-21(28-31)26-23(32)18-11-20(19-13-30(4)27-15(19)2)25-24-22(18)16(3)29-33-24/h5-11,13H,12H2,1-4H3,(H,26,28,32).
What are the key properties of 6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).