N-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide

C28H23N3O3 — CID 146269033

IUPACN-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(Oc2ccccc2)ccc1NC(=O)c1c(OCc2ccccc2)nn2ccccc12
InChIInChI=1S/C28H23N3O3/c1-20-18-23(34-22-12-6-3-7-13-22)15-16-24(20)29-27(32)26-25-14-8-9-17-31(25)30-28(26)33-19-21-10-4-2-5-11-21/h2-18H,19H2,1H3,(H,29,32)
InChIKeyIXKXVHVIWQNAKD-UHFFFAOYSA-N
MW449.51 g/mol
LogP6.27
Rot. Bonds7

About N-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide

N-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 146269033) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID146269033
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC NameN-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(Oc2ccccc2)ccc1NC(=O)c1c(OCc2ccccc2)nn2ccccc12
InChIInChI=1S/C28H23N3O3/c1-20-18-23(34-22-12-6-3-7-13-22)15-16-24(20)29-27(32)26-25-14-8-9-17-31(25)30-28(26)33-19-21-10-4-2-5-11-21/h2-18H,19H2,1H3,(H,29,32)
InChIKeyIXKXVHVIWQNAKD-UHFFFAOYSA-N
XLogP6.27
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide (CID 146269033) is N-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cc(Oc2ccccc2)ccc1NC(=O)c1c(OCc2ccccc2)nn2ccccc12.
What is the InChIKey of N-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is IXKXVHVIWQNAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c1-20-18-23(34-22-12-6-3-7-13-22)15-16-24(20)29-27(32)26-25-14-8-9-17-31(25)30-28(26)33-19-21-10-4-2-5-11-21/h2-18H,19H2,1H3,(H,29,32).
What are the key properties of N-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide?
N-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenoxyphenyl)-2-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 146269033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).