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

C16H15FN4O3S — CID 118246523

IUPACN-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c3c2c(F)cn3S(C)(=O)=O)ccn1
InChIInChI=1S/C16H15FN4O3S/c1-9-16-15(13(17)8-21(16)25(3,23)24)12(7-19-9)11-4-5-18-14(6-11)20-10(2)22/h4-8H,1-3H3,(H,18,20,22)
InChIKeyFRSRIDVWJHYRSP-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.31
Rot. Bonds3

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

N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide (PubChem CID 118246523) has the molecular formula C16H15FN4O3S and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide
PubChem CID118246523
Molecular FormulaC16H15FN4O3S
Molecular Weight362.39 g/mol
Exact Mass362.08
IUPAC NameN-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c3c2c(F)cn3S(C)(=O)=O)ccn1
InChIInChI=1S/C16H15FN4O3S/c1-9-16-15(13(17)8-21(16)25(3,23)24)12(7-19-9)11-4-5-18-14(6-11)20-10(2)22/h4-8H,1-3H3,(H,18,20,22)
InChIKeyFRSRIDVWJHYRSP-UHFFFAOYSA-N
XLogP2.31
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
CID 118246515
N-[4-[5-(tert-butylsulfamoyl)-4-methyl-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293487
N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293529
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 159402867
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 90465331
N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293549
N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293459
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
N-[4-[5-methyl-2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 118662591
N-[4-[5-methyl-2-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 86299734

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide (CID 118246523) is N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c3c2c(F)cn3S(C)(=O)=O)ccn1.
What is the InChIKey of N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide?
The InChIKey is FRSRIDVWJHYRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3S/c1-9-16-15(13(17)8-21(16)25(3,23)24)12(7-19-9)11-4-5-18-14(6-11)20-10(2)22/h4-8H,1-3H3,(H,18,20,22).
What are the key properties of N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide?
N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118246523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).