1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone

C19H21N5O — CID 56778396

IUPAC1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone
SMILESCCNc1cc2c(nn1)CCN(C(=O)Cc1c[nH]c3ccccc13)C2
InChIInChI=1S/C19H21N5O/c1-2-20-18-9-14-12-24(8-7-16(14)22-23-18)19(25)10-13-11-21-17-6-4-3-5-15(13)17/h3-6,9,11,21H,2,7-8,10,12H2,1H3,(H,20,23)
InChIKeyLBQOKDWRQVSSLX-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.52
Rot. Bonds4

About 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone

1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 56778396) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID56778396
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone
SMILESCCNc1cc2c(nn1)CCN(C(=O)Cc1c[nH]c3ccccc13)C2
InChIInChI=1S/C19H21N5O/c1-2-20-18-9-14-12-24(8-7-16(14)22-23-18)19(25)10-13-11-21-17-6-4-3-5-15(13)17/h3-6,9,11,21H,2,7-8,10,12H2,1H3,(H,20,23)
InChIKeyLBQOKDWRQVSSLX-UHFFFAOYSA-N
XLogP2.52
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone (CID 56778396) is 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone is CCNc1cc2c(nn1)CCN(C(=O)Cc1c[nH]c3ccccc13)C2.
What is the InChIKey of 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is LBQOKDWRQVSSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-20-18-9-14-12-24(8-7-16(14)22-23-18)19(25)10-13-11-21-17-6-4-3-5-15(13)17/h3-6,9,11,21H,2,7-8,10,12H2,1H3,(H,20,23).
What are the key properties of 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone?
1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 335.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 56778396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).