2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide

C21H20N6O2S — CID 166871074

IUPAC2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide
SMILESCC(C)C(=O)Nc1ccccc1-c1ccc2nc(NC(=O)c3ccnn3C)sc2n1
InChIInChI=1S/C21H20N6O2S/c1-12(2)18(28)23-14-7-5-4-6-13(14)15-8-9-16-20(24-15)30-21(25-16)26-19(29)17-10-11-22-27(17)3/h4-12H,1-3H3,(H,23,28)(H,25,26,29)
InChIKeyJRLPNEAVMLQJPU-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.94
Rot. Bonds5

About 2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide

2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide (PubChem CID 166871074) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is 2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide
PubChem CID166871074
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC Name2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide
SMILESCC(C)C(=O)Nc1ccccc1-c1ccc2nc(NC(=O)c3ccnn3C)sc2n1
InChIInChI=1S/C21H20N6O2S/c1-12(2)18(28)23-14-7-5-4-6-13(14)15-8-9-16-20(24-15)30-21(25-16)26-19(29)17-10-11-22-27(17)3/h4-12H,1-3H3,(H,23,28)(H,25,26,29)
InChIKeyJRLPNEAVMLQJPU-UHFFFAOYSA-N
XLogP3.94
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide (CID 166871074) is 2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide is CC(C)C(=O)Nc1ccccc1-c1ccc2nc(NC(=O)c3ccnn3C)sc2n1.
What is the InChIKey of 2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide?
The InChIKey is JRLPNEAVMLQJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c1-12(2)18(28)23-14-7-5-4-6-13(14)15-8-9-16-20(24-15)30-21(25-16)26-19(29)17-10-11-22-27(17)3/h4-12H,1-3H3,(H,23,28)(H,25,26,29).
What are the key properties of 2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide?
2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 166871074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).