N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide

C17H15FN4O3S — CID 118240801

IUPACN-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C2CC2)c(F)cn1
InChIInChI=1S/C17H15FN4O3S/c1-10(23)21-17-6-13(15(18)8-20-17)14-7-19-9-16-12(14)4-5-22(16)26(24,25)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,20,21,23)
InChIKeyXUWBHJANIKJVPV-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.54
Rot. Bonds4

About N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide

N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide (PubChem CID 118240801) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide
PubChem CID118240801
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC NameN-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C2CC2)c(F)cn1
InChIInChI=1S/C17H15FN4O3S/c1-10(23)21-17-6-13(15(18)8-20-17)14-7-19-9-16-12(14)4-5-22(16)26(24,25)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,20,21,23)
InChIKeyXUWBHJANIKJVPV-UHFFFAOYSA-N
XLogP2.54
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide (CID 118240801) is N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C2CC2)c(F)cn1.
What is the InChIKey of N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide?
The InChIKey is XUWBHJANIKJVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-10(23)21-17-6-13(15(18)8-20-17)14-7-19-9-16-12(14)4-5-22(16)26(24,25)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,20,21,23).
What are the key properties of N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide?
N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide is sourced from PubChem (CID 118240801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).