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

C24H28N6O3S — CID 175067202

IUPAC5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCN(CC)CCn1cc(-c2cnc3c(c2)c(C(N)=O)cn3S(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C24H28N6O3S/c1-4-28(5-2)10-11-29-15-19(14-27-29)18-12-21-22(23(25)31)16-30(24(21)26-13-18)34(32,33)20-8-6-17(3)7-9-20/h6-9,12-16H,4-5,10-11H2,1-3H3,(H2,25,31)
InChIKeyZHJYPOTVXFPZPS-UHFFFAOYSA-N
MW480.59 g/mol
LogP2.89
Rot. Bonds9

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

5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 175067202) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID175067202
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Name5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCN(CC)CCn1cc(-c2cnc3c(c2)c(C(N)=O)cn3S(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C24H28N6O3S/c1-4-28(5-2)10-11-29-15-19(14-27-29)18-12-21-22(23(25)31)16-30(24(21)26-13-18)34(32,33)20-8-6-17(3)7-9-20/h6-9,12-16H,4-5,10-11H2,1-3H3,(H2,25,31)
InChIKeyZHJYPOTVXFPZPS-UHFFFAOYSA-N
XLogP2.89
TPSA116.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 52.89
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]pyridin-3-amine
CID 161006901
1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 73014138
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
2,3-dimethyl-4-[5-[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 175083791
2-amino-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700180
4-[1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 70648845
ethyl 5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxylate
CID 59699900
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-[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
2-methyl-2-[4-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridin-3-yl]phenyl]propanoic acid
CID 135062758
2,3-dimethyl-4-[1-(4-methylphenyl)sulfonyl-5-[4-(4-methylpiperazin-1-yl)-3-(1H-pyrazol-4-yl)phenyl]pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 175083150
5-[3-(2-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-isocyanato-N,N-dimethylbenzamide
CID 89332334

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 175067202) is 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxamide is CCN(CC)CCn1cc(-c2cnc3c(c2)c(C(N)=O)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]pyridine-3-carboxamide?
The InChIKey is ZHJYPOTVXFPZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-4-28(5-2)10-11-29-15-19(14-27-29)18-12-21-22(23(25)31)16-30(24(21)26-13-18)34(32,33)20-8-6-17(3)7-9-20/h6-9,12-16H,4-5,10-11H2,1-3H3,(H2,25,31).
What are the key properties of 5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxamide?
5-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 2.89, 9 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]pyridine-3-carboxamide is sourced from PubChem (CID 175067202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).