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

C19H15ClFN5O — CID 22987997

IUPACN-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(-c2[nH]c3nccnc3c2-c2ccc(F)cc2)ccn1.Cl
InChIInChI=1S/C19H14FN5O.ClH/c1-11(26)24-15-10-13(6-7-21-15)17-16(12-2-4-14(20)5-3-12)18-19(25-17)23-9-8-22-18;/h2-10H,1H3,(H,23,25)(H,21,24,26);1H
InChIKeyKDCSVAVGTWQQMD-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.21
Rot. Bonds3

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

N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride (PubChem CID 22987997) has the molecular formula C19H15ClFN5O and a molecular weight of 383.81 g/mol. Its IUPAC name is N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride
PubChem CID22987997
Molecular FormulaC19H15ClFN5O
Molecular Weight383.81 g/mol
Exact Mass383.09
IUPAC NameN-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(-c2[nH]c3nccnc3c2-c2ccc(F)cc2)ccn1.Cl
InChIInChI=1S/C19H14FN5O.ClH/c1-11(26)24-15-10-13(6-7-21-15)17-16(12-2-4-14(20)5-3-12)18-19(25-17)23-9-8-22-18;/h2-10H,1H3,(H,23,25)(H,21,24,26);1H
InChIKeyKDCSVAVGTWQQMD-UHFFFAOYSA-N
XLogP4.21
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide
CID 67240144
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-methoxyacetamide
CID 67242843
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide
CID 67243289
N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411952
N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411960
N-[4-[3-(2-methylpyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121431775
(2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide
CID 162687276
N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide
CID 162687584
N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide
CID 53239062
2-[[4-[7-(4-fluorophenyl)-3-(2-hydroxyethylamino)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]amino]ethanol
CID 67240751
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 90465331
2-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-1-ol;hydrochloride
CID 172873220

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride (CID 22987997) is N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride is CC(=O)Nc1cc(-c2[nH]c3nccnc3c2-c2ccc(F)cc2)ccn1.Cl.
What is the InChIKey of N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride?
The InChIKey is KDCSVAVGTWQQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O.ClH/c1-11(26)24-15-10-13(6-7-21-15)17-16(12-2-4-14(20)5-3-12)18-19(25-17)23-9-8-22-18;/h2-10H,1H3,(H,23,25)(H,21,24,26);1H.
What are the key properties of N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride?
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride has a molecular weight of 383.81 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride is sourced from PubChem (CID 22987997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).