N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H22BrN5O2 — CID 16621058

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C
InChIInChI=1S/C21H22BrN5O2/c1-11-8-14(22)6-7-16(11)24-18(28)10-23-21(29)15-9-17(13-4-5-13)25-20-19(15)12(2)26-27(20)3/h6-9,13H,4-5,10H2,1-3H3,(H,23,29)(H,24,28)
InChIKeySSFXYNNTPNGLKT-UHFFFAOYSA-N
MW456.34 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16621058) has the molecular formula C21H22BrN5O2 and a molecular weight of 456.34 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16621058
Molecular FormulaC21H22BrN5O2
Molecular Weight456.34 g/mol
Exact Mass455.10
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C
InChIInChI=1S/C21H22BrN5O2/c1-11-8-14(22)6-7-16(11)24-18(28)10-23-21(29)15-9-17(13-4-5-13)25-20-19(15)12(2)26-27(20)3/h6-9,13H,4-5,10H2,1-3H3,(H,23,29)(H,24,28)
InChIKeySSFXYNNTPNGLKT-UHFFFAOYSA-N
XLogP3.59
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60621106
6-cyclopropyl-N-(3,3-dimethyl-2-oxobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95753508
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514383
6-cyclopropyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148427
N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55576758
6-cyclopropyl-N-(1-ethyl-5-methylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823436
6-cyclopropyl-1,3-dimethyl-N-(3-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31769500
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154521
6-cyclopropyl-N,N-diethyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 34838029
6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38398974

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16621058) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SSFXYNNTPNGLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN5O2/c1-11-8-14(22)6-7-16(11)24-18(28)10-23-21(29)15-9-17(13-4-5-13)25-20-19(15)12(2)26-27(20)3/h6-9,13H,4-5,10H2,1-3H3,(H,23,29)(H,24,28).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 456.34 g/mol, XLogP of 3.59, 5 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]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16621058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).