N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide

C24H23FN6O — CID 67243289

IUPACN-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cc(-c2[nH]c3nccnc3c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C24H23FN6O/c25-18-6-4-16(5-7-18)21-22(30-24-23(21)27-10-11-28-24)17-8-9-26-19(14-17)29-20(32)15-31-12-2-1-3-13-31/h4-11,14H,1-3,12-13,15H2,(H,28,30)(H,26,29,32)
InChIKeyZQKVNTHCRCHQPR-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.25
Rot. Bonds5

About N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide

N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide (PubChem CID 67243289) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide
PubChem CID67243289
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC NameN-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cc(-c2[nH]c3nccnc3c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C24H23FN6O/c25-18-6-4-16(5-7-18)21-22(30-24-23(21)27-10-11-28-24)17-8-9-26-19(14-17)29-20(32)15-31-12-2-1-3-13-31/h4-11,14H,1-3,12-13,15H2,(H,28,30)(H,26,29,32)
InChIKeyZQKVNTHCRCHQPR-UHFFFAOYSA-N
XLogP4.25
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride
CID 22987997
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-methoxyacetamide
CID 67242843
N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide
CID 67240144
2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 162687627
(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
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
2-[[4-[7-(4-fluorophenyl)-3-(2-hydroxyethylamino)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]amino]ethanol
CID 67240751
3-[[4-[7-(4-fluorophenyl)-3-(3-hydroxypropylamino)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]amino]propan-1-ol
CID 67242801
N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide
CID 176877371
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
N-[4-[5-(4-fluorophenyl)-1-oxido-3-(2-piperidin-1-ylethyl)imidazol-1-ium-4-yl]-2-pyridinyl]acetamide
CID 11750588
N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411960

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide (CID 67243289) is N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1cc(-c2[nH]c3nccnc3c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide?
The InChIKey is ZQKVNTHCRCHQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c25-18-6-4-16(5-7-18)21-22(30-24-23(21)27-10-11-28-24)17-8-9-26-19(14-17)29-20(32)15-31-12-2-1-3-13-31/h4-11,14H,1-3,12-13,15H2,(H,28,30)(H,26,29,32).
What are the key properties of N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide?
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide has a molecular weight of 430.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 67243289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).