N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide

C24H23N3O3 — CID 163298989

IUPACN-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(Oc2ccccc2)c(C(C)C)cc1NC(=O)c1c(=O)[nH]n2ccccc12
InChIInChI=1S/C24H23N3O3/c1-15(2)18-14-19(16(3)13-21(18)30-17-9-5-4-6-10-17)25-23(28)22-20-11-7-8-12-27(20)26-24(22)29/h4-15H,1-3H3,(H,25,28)(H,26,29)
InChIKeyHLAPQJIQMWVQKM-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.10
Rot. Bonds5

About N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide

N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 163298989) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID163298989
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(Oc2ccccc2)c(C(C)C)cc1NC(=O)c1c(=O)[nH]n2ccccc12
InChIInChI=1S/C24H23N3O3/c1-15(2)18-14-19(16(3)13-21(18)30-17-9-5-4-6-10-17)25-23(28)22-20-11-7-8-12-27(20)26-24(22)29/h4-15H,1-3H3,(H,25,28)(H,26,29)
InChIKeyHLAPQJIQMWVQKM-UHFFFAOYSA-N
XLogP5.10
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 163298989) is N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cc(Oc2ccccc2)c(C(C)C)cc1NC(=O)c1c(=O)[nH]n2ccccc12.
What is the InChIKey of N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is HLAPQJIQMWVQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15(2)18-14-19(16(3)13-21(18)30-17-9-5-4-6-10-17)25-23(28)22-20-11-7-8-12-27(20)26-24(22)29/h4-15H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 163298989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).