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

C24H27N5O — CID 135961815

IUPAC5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESCCCN(CCC)Cc1ccc2[nH]c(-c3cc(-c4ccncc4)n[nH]c3=O)cc2c1
InChIInChI=1S/C24H27N5O/c1-3-11-29(12-4-2)16-17-5-6-21-19(13-17)14-23(26-21)20-15-22(27-28-24(20)30)18-7-9-25-10-8-18/h5-10,13-15,26H,3-4,11-12,16H2,1-2H3,(H,28,30)
InChIKeyGKQBCOHCFJRXMP-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.60
Rot. Bonds8

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

5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one (PubChem CID 135961815) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
PubChem CID135961815
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESCCCN(CCC)Cc1ccc2[nH]c(-c3cc(-c4ccncc4)n[nH]c3=O)cc2c1
InChIInChI=1S/C24H27N5O/c1-3-11-29(12-4-2)16-17-5-6-21-19(13-17)14-23(26-21)20-15-22(27-28-24(20)30)18-7-9-25-10-8-18/h5-10,13-15,26H,3-4,11-12,16H2,1-2H3,(H,28,30)
InChIKeyGKQBCOHCFJRXMP-UHFFFAOYSA-N
XLogP4.60
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
The IUPAC name of 5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one (CID 135961815) is 5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one is CCCN(CCC)Cc1ccc2[nH]c(-c3cc(-c4ccncc4)n[nH]c3=O)cc2c1.
What is the InChIKey of 5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
The InChIKey is GKQBCOHCFJRXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-3-11-29(12-4-2)16-17-5-6-21-19(13-17)14-23(26-21)20-15-22(27-28-24(20)30)18-7-9-25-10-8-18/h5-10,13-15,26H,3-4,11-12,16H2,1-2H3,(H,28,30).
What are the key properties of 5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one has a molecular weight of 401.51 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 135961815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).