5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid

C19H18N4O3S — CID 175507451

IUPAC5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid
SMILESCSc1cc(C2CC2)cc(-c2cn(C(=O)O)c3cnc(NC(C)=O)cc23)n1
InChIInChI=1S/C19H18N4O3S/c1-10(24)21-17-7-13-14(9-23(19(25)26)16(13)8-20-17)15-5-12(11-3-4-11)6-18(22-15)27-2/h5-9,11H,3-4H2,1-2H3,(H,25,26)(H,20,21,24)
InChIKeyIDTHMJRZTDJSDE-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.18
Rot. Bonds4

About 5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid

5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid (PubChem CID 175507451) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid
PubChem CID175507451
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid
SMILESCSc1cc(C2CC2)cc(-c2cn(C(=O)O)c3cnc(NC(C)=O)cc23)n1
InChIInChI=1S/C19H18N4O3S/c1-10(24)21-17-7-13-14(9-23(19(25)26)16(13)8-20-17)15-5-12(11-3-4-11)6-18(22-15)27-2/h5-9,11H,3-4H2,1-2H3,(H,25,26)(H,20,21,24)
InChIKeyIDTHMJRZTDJSDE-UHFFFAOYSA-N
XLogP4.18
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid with MolForge

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Related Compounds

N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
CID 166918745
N-[3-[6-methylsulfanyl-4-(oxan-4-ylmethoxy)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694276
N-[3-[6-(cyclopropylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]-1-ethylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 177028739
N-[3-(2-ethyl-7-methylsulfanyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 172560580
N-[1-ethyl-3-[2-(1-fluorocyclopropyl)-6-methylpyrimidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 177028729
N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 166132128
N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694300
N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464906
N-[3-[2-[cyclopropyl(difluoro)methyl]-7-methylsulfanyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-5-yl]-1-(trideuteriomethyl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 172603405
N-[3-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 177028709
N-[1-methyl-3-[6-methylsulfonyl-4-(oxetan-3-ylmethoxy)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694301
N-[3-[2-(1,1-difluoroethyl)-6-(oxetan-3-yloxy)pyrimidin-4-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 177028839

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid?
The IUPAC name of 5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid (CID 175507451) is 5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid?
The canonical SMILES for 5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid is CSc1cc(C2CC2)cc(-c2cn(C(=O)O)c3cnc(NC(C)=O)cc23)n1.
What is the InChIKey of 5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid?
The InChIKey is IDTHMJRZTDJSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-10(24)21-17-7-13-14(9-23(19(25)26)16(13)8-20-17)15-5-12(11-3-4-11)6-18(22-15)27-2/h5-9,11H,3-4H2,1-2H3,(H,25,26)(H,20,21,24).
What are the key properties of 5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid?
5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid has a molecular weight of 382.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid is sourced from PubChem (CID 175507451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).