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

C21H16F2N4O3S — CID 122692489

IUPACN-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccc(F)cc2F)ccn1
InChIInChI=1S/C21H16F2N4O3S/c1-12-21-16(17(11-25-12)14-5-7-24-20(9-14)26-13(2)28)6-8-27(21)31(29,30)19-4-3-15(22)10-18(19)23/h3-11H,1-2H3,(H,24,26,28)
InChIKeyPFOLVPHIPLCVLH-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.88
Rot. Bonds4

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

N-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide (PubChem CID 122692489) has the molecular formula C21H16F2N4O3S and a molecular weight of 442.45 g/mol. Its IUPAC name is N-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide
PubChem CID122692489
Molecular FormulaC21H16F2N4O3S
Molecular Weight442.45 g/mol
Exact Mass442.09
IUPAC NameN-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccc(F)cc2F)ccn1
InChIInChI=1S/C21H16F2N4O3S/c1-12-21-16(17(11-25-12)14-5-7-24-20(9-14)26-13(2)28)6-8-27(21)31(29,30)19-4-3-15(22)10-18(19)23/h3-11H,1-2H3,(H,24,26,28)
InChIKeyPFOLVPHIPLCVLH-UHFFFAOYSA-N
XLogP3.88
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide (CID 122692489) is N-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccc(F)cc2F)ccn1.
What is the InChIKey of N-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
The InChIKey is PFOLVPHIPLCVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O3S/c1-12-21-16(17(11-25-12)14-5-7-24-20(9-14)26-13(2)28)6-8-27(21)31(29,30)19-4-3-15(22)10-18(19)23/h3-11H,1-2H3,(H,24,26,28).
What are the key properties of N-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
N-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide has a molecular weight of 442.45 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,4-difluorophenyl)sulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 122692489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).