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

C24H22BrN5O2 — CID 43039567

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)NCC(=O)Nc3ccc(Br)cc3C)cc(-c3ccccc3)nc21
InChIInChI=1S/C24H22BrN5O2/c1-3-30-23-19(13-27-30)18(12-21(29-23)16-7-5-4-6-8-16)24(32)26-14-22(31)28-20-10-9-17(25)11-15(20)2/h4-13H,3,14H2,1-2H3,(H,26,32)(H,28,31)
InChIKeyIANRXFAFRNFDFT-UHFFFAOYSA-N
MW492.38 g/mol
LogP4.56
Rot. Bonds6

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

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43039567) has the molecular formula C24H22BrN5O2 and a molecular weight of 492.38 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID43039567
Molecular FormulaC24H22BrN5O2
Molecular Weight492.38 g/mol
Exact Mass491.10
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)NCC(=O)Nc3ccc(Br)cc3C)cc(-c3ccccc3)nc21
InChIInChI=1S/C24H22BrN5O2/c1-3-30-23-19(13-27-30)18(12-21(29-23)16-7-5-4-6-8-16)24(32)26-14-22(31)28-20-10-9-17(25)11-15(20)2/h4-13H,3,14H2,1-2H3,(H,26,32)(H,28,31)
InChIKeyIANRXFAFRNFDFT-UHFFFAOYSA-N
XLogP4.56
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.38
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823079
1-ethyl-6-phenyl-N-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25400422
N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119405435
1-ethyl-6-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78859789
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 43041655
1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55486953
2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
CID 26549746
N-(4-cyanophenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16590998
N-(1-benzylpyrazol-4-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55982114
methyl 6-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
CID 30125131
N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46559207
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17462030

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 43039567) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)NCC(=O)Nc3ccc(Br)cc3C)cc(-c3ccccc3)nc21.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IANRXFAFRNFDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN5O2/c1-3-30-23-19(13-27-30)18(12-21(29-23)16-7-5-4-6-8-16)24(32)26-14-22(31)28-20-10-9-17(25)11-15(20)2/h4-13H,3,14H2,1-2H3,(H,26,32)(H,28,31).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 492.38 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43039567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).