[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone

C19H21FN4O — CID 95347267

IUPAC[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone
SMILESCCNc1cc2c(nn1)CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1F)C2
InChIInChI=1S/C19H21FN4O/c1-2-21-18-9-12-11-24(8-7-17(12)22-23-18)19(25)15-10-14(15)13-5-3-4-6-16(13)20/h3-6,9,14-15H,2,7-8,10-11H2,1H3,(H,21,23)/t14-,15-/m1/s1
InChIKeyZUWIUOGVVORYEV-HUUCEWRRSA-N
MW340.40 g/mol
LogP2.74
Rot. Bonds4

About [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone

[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone (PubChem CID 95347267) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone
PubChem CID95347267
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone
SMILESCCNc1cc2c(nn1)CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1F)C2
InChIInChI=1S/C19H21FN4O/c1-2-21-18-9-12-11-24(8-7-17(12)22-23-18)19(25)15-10-14(15)13-5-3-4-6-16(13)20/h3-6,9,14-15H,2,7-8,10-11H2,1H3,(H,21,23)/t14-,15-/m1/s1
InChIKeyZUWIUOGVVORYEV-HUUCEWRRSA-N
XLogP2.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 95350512
[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone
CID 95978130
2,3-dihydro-1-benzothiophen-2-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
CID 56778415
[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
CID 95600373
1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone
CID 56778396
[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95600366
(2R)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 95600406
1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95766384
5-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 56778421
cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 52544721
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone
CID 55474132
[2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119542477

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone (CID 95347267) is [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone is CCNc1cc2c(nn1)CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1F)C2.
What is the InChIKey of [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone?
The InChIKey is ZUWIUOGVVORYEV-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-2-21-18-9-12-11-24(8-7-17(12)22-23-18)19(25)15-10-14(15)13-5-3-4-6-16(13)20/h3-6,9,14-15H,2,7-8,10-11H2,1H3,(H,21,23)/t14-,15-/m1/s1.
What are the key properties of [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone?
[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone has a molecular weight of 340.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 95347267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).