N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide

C24H22F2N4O2 — CID 16671446

IUPACN-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide
SMILESCC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H22F2N4O2/c1-2-17(28-23(31)12-16-13-27-22-6-4-3-5-18(16)22)14-30-24(32)10-9-21(29-30)15-7-8-19(25)20(26)11-15/h3-11,13,17,27H,2,12,14H2,1H3,(H,28,31)/t17-/m1/s1
InChIKeyRCFPYHYXOQOPQH-QGZVFWFLSA-N
MW436.46 g/mol
LogP3.81
Rot. Bonds7

About N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide

N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide (PubChem CID 16671446) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide
PubChem CID16671446
Molecular FormulaC24H22F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC NameN-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide
SMILESCC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H22F2N4O2/c1-2-17(28-23(31)12-16-13-27-22-6-4-3-5-18(16)22)14-30-24(32)10-9-21(29-30)15-7-8-19(25)20(26)11-15/h3-11,13,17,27H,2,12,14H2,1H3,(H,28,31)/t17-/m1/s1
InChIKeyRCFPYHYXOQOPQH-QGZVFWFLSA-N
XLogP3.81
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide (CID 16671446) is N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide is CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is RCFPYHYXOQOPQH-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22F2N4O2/c1-2-17(28-23(31)12-16-13-27-22-6-4-3-5-18(16)22)14-30-24(32)10-9-21(29-30)15-7-8-19(25)20(26)11-15/h3-11,13,17,27H,2,12,14H2,1H3,(H,28,31)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide?
N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 436.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 16671446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).