3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide

C19H21ClN4O4S — CID 155530233

IUPAC3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCC(C)COc1ncc(-c2cn(C)c3nc(C(=O)NS(C)(=O)=O)ccc23)cc1Cl
InChIInChI=1S/C19H21ClN4O4S/c1-11(2)10-28-19-15(20)7-12(8-21-19)14-9-24(3)17-13(14)5-6-16(22-17)18(25)23-29(4,26)27/h5-9,11H,10H2,1-4H3,(H,23,25)
InChIKeyKRCODUHLWRITJY-UHFFFAOYSA-N
MW436.92 g/mol
LogP3.01
Rot. Bonds6

About 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide

3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 155530233) has the molecular formula C19H21ClN4O4S and a molecular weight of 436.92 g/mol. Its IUPAC name is 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID155530233
Molecular FormulaC19H21ClN4O4S
Molecular Weight436.92 g/mol
Exact Mass436.10
IUPAC Name3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCC(C)COc1ncc(-c2cn(C)c3nc(C(=O)NS(C)(=O)=O)ccc23)cc1Cl
InChIInChI=1S/C19H21ClN4O4S/c1-11(2)10-28-19-15(20)7-12(8-21-19)14-9-24(3)17-13(14)5-6-16(22-17)18(25)23-29(4,26)27/h5-9,11H,10H2,1-4H3,(H,23,25)
InChIKeyKRCODUHLWRITJY-UHFFFAOYSA-N
XLogP3.01
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide with MolForge

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Related Compounds

[1-(5-Chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
CID 148928719
5-chloro-1-[(2,5-difluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-b]pyridine-2-carboxamide
CID 59490953
3-(4-Chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 170938100
N-[4-(1-carbamimidoylcyclopropyl)sulfonyl-5-methyl-2,3,4,5-tetrahydrooxepino[2,3-b]pyridin-7-yl]-6-chloro-3-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 123190728
3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-(2-methylpropyl)indole-2-carboxamide
CID 132020454
(5-Chloro-6-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)-(3-propoxyphenyl)methanone
CID 176134971
2-(4-Amino-2-methyl-6,6-dioxospiro[10-oxa-6lambda6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclopropane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 160923400
2-(4-Amino-2,5,5-trimethyl-6,6-dioxo-10-oxa-6lambda6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraen-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 160923402
2-(4-Amino-2-methyl-6,6-dioxospiro[10-oxa-6lambda6-thia-3,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),3,12,14-tetraene-5,1'-cyclobutane]-14-yl)-1-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 160923403

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide (CID 155530233) is 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide is CC(C)COc1ncc(-c2cn(C)c3nc(C(=O)NS(C)(=O)=O)ccc23)cc1Cl.
What is the InChIKey of 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is KRCODUHLWRITJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4S/c1-11(2)10-28-19-15(20)7-12(8-21-19)14-9-24(3)17-13(14)5-6-16(22-17)18(25)23-29(4,26)27/h5-9,11H,10H2,1-4H3,(H,23,25).
What are the key properties of 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide?
3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 436.92 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 155530233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).