2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium

C21H27ClN5O2+ — CID 7627054

IUPAC2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)c1cnc2c(c(C)nn2-c2cccc(OC)c2)c1Cl
InChIInChI=1S/C21H26ClN5O2/c1-5-26(6-2)11-10-23-21(28)17-13-24-20-18(19(17)22)14(3)25-27(20)15-8-7-9-16(12-15)29-4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,23,28)/p+1
InChIKeyJXEHPSJCJYQISO-UHFFFAOYSA-O
MW416.93 g/mol
LogP2.05
Rot. Bonds8

About 2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium

2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium (PubChem CID 7627054) has the molecular formula C21H27ClN5O2+ and a molecular weight of 416.93 g/mol. Its IUPAC name is 2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium
PubChem CID7627054
Molecular FormulaC21H27ClN5O2+
Molecular Weight416.93 g/mol
Exact Mass416.18
IUPAC Name2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)c1cnc2c(c(C)nn2-c2cccc(OC)c2)c1Cl
InChIInChI=1S/C21H26ClN5O2/c1-5-26(6-2)11-10-23-21(28)17-13-24-20-18(19(17)22)14(3)25-27(20)15-8-7-9-16(12-15)29-4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,23,28)/p+1
InChIKeyJXEHPSJCJYQISO-UHFFFAOYSA-O
XLogP2.05
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium with MolForge

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Related Compounds

4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627055
2-[[4-chloro-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium
CID 7627198
4-chloro-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626634
4-chloro-1-(3-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl chloride
CID 11163623
4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626641
4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626969
4-chloro-3-methyl-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626606
4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423439
4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626984
4-chloro-3-methyl-1-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 11381079
4-chloro-N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626788
N-butyl-4-chloro-1-(4-methoxyphenyl)-N,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626907

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium?
The IUPAC name of 2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium (CID 7627054) is 2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium.
What is the SMILES notation for 2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium?
The canonical SMILES for 2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium is CC[NH+](CC)CCNC(=O)c1cnc2c(c(C)nn2-c2cccc(OC)c2)c1Cl.
What is the InChIKey of 2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium?
The InChIKey is JXEHPSJCJYQISO-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26ClN5O2/c1-5-26(6-2)11-10-23-21(28)17-13-24-20-18(19(17)22)14(3)25-27(20)15-8-7-9-16(12-15)29-4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,23,28)/p+1.
What are the key properties of 2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium?
2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium has a molecular weight of 416.93 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium is sourced from PubChem (CID 7627054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).