methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate

C17H16N4O3 — CID 137440860

IUPACmethyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate
SMILESCNC(=O)c1ccc(-c2cnn3ccc(NC(=O)OC)cc23)cc1
InChIInChI=1S/C17H16N4O3/c1-18-16(22)12-5-3-11(4-6-12)14-10-19-21-8-7-13(9-15(14)21)20-17(23)24-2/h3-10H,1-2H3,(H,18,22)(H,20,23)
InChIKeyUFMOYCRWVKDUCL-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.54
Rot. Bonds3

About methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate

methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate (PubChem CID 137440860) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate
PubChem CID137440860
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Namemethyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate
SMILESCNC(=O)c1ccc(-c2cnn3ccc(NC(=O)OC)cc23)cc1
InChIInChI=1S/C17H16N4O3/c1-18-16(22)12-5-3-11(4-6-12)14-10-19-21-8-7-13(9-15(14)21)20-17(23)24-2/h3-10H,1-2H3,(H,18,22)(H,20,23)
InChIKeyUFMOYCRWVKDUCL-UHFFFAOYSA-N
XLogP2.54
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate?
The IUPAC name of methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate (CID 137440860) is methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate.
What is the SMILES notation for methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate?
The canonical SMILES for methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate is CNC(=O)c1ccc(-c2cnn3ccc(NC(=O)OC)cc23)cc1.
What is the InChIKey of methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate?
The InChIKey is UFMOYCRWVKDUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-18-16(22)12-5-3-11(4-6-12)14-10-19-21-8-7-13(9-15(14)21)20-17(23)24-2/h3-10H,1-2H3,(H,18,22)(H,20,23).
What are the key properties of methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate?
methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate has a molecular weight of 324.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate is sourced from PubChem (CID 137440860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).