4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C21H26ClN5O2 — CID 7627055

IUPAC4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCN(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)
InChIKeyJXEHPSJCJYQISO-UHFFFAOYSA-N
MW415.93 g/mol
LogP3.46
Rot. Bonds8

About 4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 7627055) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID7627055
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Name4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCN(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)
InChIKeyJXEHPSJCJYQISO-UHFFFAOYSA-N
XLogP3.46
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium
CID 7627054
4-chloro-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626634
4-chloro-N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626788
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-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626649
N-butyl-4-chloro-1-(4-methoxyphenyl)-N,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626907
2-[[4-chloro-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium
CID 7627198
4-chloro-1-(3-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl chloride
CID 11163623
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 7627055) is 4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is CCN(CC)CCNC(=O)c1cnc2c(c(C)nn2-c2cccc(OC)c2)c1Cl.
What is the InChIKey of 4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JXEHPSJCJYQISO-UHFFFAOYSA-N. 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).
What are the key properties of 4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 415.93 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 7627055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).