1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H25N5O3 — CID 43054400

IUPAC1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)N(C)CC(=O)Nc3ccc(OC)cc3)cc(-c3ccccc3)nc21
InChIInChI=1S/C25H25N5O3/c1-4-30-24-21(15-26-30)20(14-22(28-24)17-8-6-5-7-9-17)25(32)29(2)16-23(31)27-18-10-12-19(33-3)13-11-18/h5-15H,4,16H2,1-3H3,(H,27,31)
InChIKeyFDCNFNUWBNRPDR-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.84
Rot. Bonds7

About 1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43054400) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID43054400
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)N(C)CC(=O)Nc3ccc(OC)cc3)cc(-c3ccccc3)nc21
InChIInChI=1S/C25H25N5O3/c1-4-30-24-21(15-26-30)20(14-22(28-24)17-8-6-5-7-9-17)25(32)29(2)16-23(31)27-18-10-12-19(33-3)13-11-18/h5-15H,4,16H2,1-3H3,(H,27,31)
InChIKeyFDCNFNUWBNRPDR-UHFFFAOYSA-N
XLogP3.84
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 43054400) is 1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)N(C)CC(=O)Nc3ccc(OC)cc3)cc(-c3ccccc3)nc21.
What is the InChIKey of 1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FDCNFNUWBNRPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-4-30-24-21(15-26-30)20(14-22(28-24)17-8-6-5-7-9-17)25(32)29(2)16-23(31)27-18-10-12-19(33-3)13-11-18/h5-15H,4,16H2,1-3H3,(H,27,31).
What are the key properties of 1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43054400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).