5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine

C23H28N6O2S — CID 161006901

IUPAC5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine
SMILESCCN(CC)CCn1cc(-c2cnc3c(c2)c(N)cn3S(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C23H28N6O2S/c1-4-27(5-2)10-11-28-15-19(14-26-28)18-12-21-22(24)16-29(23(21)25-13-18)32(30,31)20-8-6-17(3)7-9-20/h6-9,12-16H,4-5,10-11,24H2,1-3H3
InChIKeyPBFBQAXRMYKQPU-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.37
Rot. Bonds8

About 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine

5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine (PubChem CID 161006901) has the molecular formula C23H28N6O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine
PubChem CID161006901
Molecular FormulaC23H28N6O2S
Molecular Weight452.58 g/mol
Exact Mass452.20
IUPAC Name5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine
SMILESCCN(CC)CCn1cc(-c2cnc3c(c2)c(N)cn3S(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C23H28N6O2S/c1-4-27(5-2)10-11-28-15-19(14-26-28)18-12-21-22(24)16-29(23(21)25-13-18)32(30,31)20-8-6-17(3)7-9-20/h6-9,12-16H,4-5,10-11,24H2,1-3H3
InChIKeyPBFBQAXRMYKQPU-UHFFFAOYSA-N
XLogP3.37
TPSA99.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 175067202
2-dimethylphosphoryl-4-[1-(4-methylphenyl)sulfonyl-3-propan-2-ylpyrrolo[2,3-b]pyridin-5-yl]aniline
CID 159934928
N-[3-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 118523966
4-[1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 70648845
2-amino-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700180
1-[4-[5-[1-(4-methylphenyl)sulfonyl-3-[1-(2-phenylethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]propan-2-ol
CID 118524063
tert-butyl 4-[4-[1-(4-methylphenyl)sulfonyl-3-[1-(2-phenylethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 90035157
1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid
CID 159423079
1-[4-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]piperidin-4-ol
CID 90031406
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-4-ylphenyl)pyrrolo[2,3-b]pyridine
CID 90031547
tert-butyl 4-[4-[3-(1-benzylpyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazine-1-carboxylate
CID 118523915
1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide
CID 167763013

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine?
The IUPAC name of 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine (CID 161006901) is 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine?
The canonical SMILES for 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine is CCN(CC)CCn1cc(-c2cnc3c(c2)c(N)cn3S(=O)(=O)c2ccc(C)cc2)cn1.
What is the InChIKey of 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine?
The InChIKey is PBFBQAXRMYKQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2S/c1-4-27(5-2)10-11-28-15-19(14-26-28)18-12-21-22(24)16-29(23(21)25-13-18)32(30,31)20-8-6-17(3)7-9-20/h6-9,12-16H,4-5,10-11,24H2,1-3H3.
What are the key properties of 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine?
5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 452.58 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 161006901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).