5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one

C28H33N5O — CID 143135785

IUPAC5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESCC(C)N1CCCCC(Cc2ccc3cc(-c4cc(-c5ccncc5)n[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C28H33N5O/c1-19(2)33-13-4-3-5-20(10-14-33)15-21-6-7-23-17-27(30-25(23)16-21)24-18-26(31-32-28(24)34)22-8-11-29-12-9-22/h6-9,11-12,16-20,30H,3-5,10,13-15H2,1-2H3,(H,32,34)
InChIKeyZNYRKVMLVPGXLC-UHFFFAOYSA-N
MW455.61 g/mol
LogP5.42
Rot. Bonds5

About 5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one

5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one (PubChem CID 143135785) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is 5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
PubChem CID143135785
Molecular FormulaC28H33N5O
Molecular Weight455.61 g/mol
Exact Mass455.27
IUPAC Name5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESCC(C)N1CCCCC(Cc2ccc3cc(-c4cc(-c5ccncc5)n[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C28H33N5O/c1-19(2)33-13-4-3-5-20(10-14-33)15-21-6-7-23-17-27(30-25(23)16-21)24-18-26(31-32-28(24)34)22-8-11-29-12-9-22/h6-9,11-12,16-20,30H,3-5,10,13-15H2,1-2H3,(H,32,34)
InChIKeyZNYRKVMLVPGXLC-UHFFFAOYSA-N
XLogP5.42
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.61
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
The IUPAC name of 5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one (CID 143135785) is 5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one is CC(C)N1CCCCC(Cc2ccc3cc(-c4cc(-c5ccncc5)n[nH]c4=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
The InChIKey is ZNYRKVMLVPGXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c1-19(2)33-13-4-3-5-20(10-14-33)15-21-6-7-23-17-27(30-25(23)16-21)24-18-26(31-32-28(24)34)22-8-11-29-12-9-22/h6-9,11-12,16-20,30H,3-5,10,13-15H2,1-2H3,(H,32,34).
What are the key properties of 5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one has a molecular weight of 455.61 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 143135785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).