N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide

C21H17FN6O2 — CID 67240144

IUPACN-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3nc(NC(C)=O)cnc3c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H17FN6O2/c1-11(29)25-16-9-14(7-8-23-16)19-18(13-3-5-15(22)6-4-13)20-21(28-19)27-17(10-24-20)26-12(2)30/h3-10H,1-2H3,(H,23,25,29)(H2,26,27,28,30)
InChIKeyHVWFCEPVXMPYEV-UHFFFAOYSA-N
MW404.41 g/mol
LogP3.74
Rot. Bonds4

About N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide

N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide (PubChem CID 67240144) has the molecular formula C21H17FN6O2 and a molecular weight of 404.41 g/mol. Its IUPAC name is N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide
PubChem CID67240144
Molecular FormulaC21H17FN6O2
Molecular Weight404.41 g/mol
Exact Mass404.14
IUPAC NameN-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3nc(NC(C)=O)cnc3c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H17FN6O2/c1-11(29)25-16-9-14(7-8-23-16)19-18(13-3-5-15(22)6-4-13)20-21(28-19)27-17(10-24-20)26-12(2)30/h3-10H,1-2H3,(H,23,25,29)(H2,26,27,28,30)
InChIKeyHVWFCEPVXMPYEV-UHFFFAOYSA-N
XLogP3.74
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide (CID 67240144) is N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3nc(NC(C)=O)cnc3c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide?
The InChIKey is HVWFCEPVXMPYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O2/c1-11(29)25-16-9-14(7-8-23-16)19-18(13-3-5-15(22)6-4-13)20-21(28-19)27-17(10-24-20)26-12(2)30/h3-10H,1-2H3,(H,23,25,29)(H2,26,27,28,30).
What are the key properties of N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide?
N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide has a molecular weight of 404.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 67240144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).