N-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide

C18H17FN4O3S — CID 118246563

IUPACN-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c3c2c(F)cn3S(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C18H17FN4O3S/c1-10-18-17(15(19)9-23(18)27(25,26)13-3-4-13)14(8-21-10)12-5-6-20-16(7-12)22-11(2)24/h5-9,13H,3-4H2,1-2H3,(H,20,22,24)
InChIKeyVYMTUTSWPXJXOX-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.84
Rot. Bonds4

About N-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide

N-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide (PubChem CID 118246563) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide
PubChem CID118246563
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC NameN-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c3c2c(F)cn3S(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C18H17FN4O3S/c1-10-18-17(15(19)9-23(18)27(25,26)13-3-4-13)14(8-21-10)12-5-6-20-16(7-12)22-11(2)24/h5-9,13H,3-4H2,1-2H3,(H,20,22,24)
InChIKeyVYMTUTSWPXJXOX-UHFFFAOYSA-N
XLogP2.84
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide (CID 118246563) is N-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c3c2c(F)cn3S(=O)(=O)C2CC2)ccn1.
What is the InChIKey of N-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide?
The InChIKey is VYMTUTSWPXJXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-10-18-17(15(19)9-23(18)27(25,26)13-3-4-13)14(8-21-10)12-5-6-20-16(7-12)22-11(2)24/h5-9,13H,3-4H2,1-2H3,(H,20,22,24).
What are the key properties of N-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide?
N-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide has a molecular weight of 388.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropylsulfonyl-3-fluoro-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118246563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).