[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone

C17H18FN5O — CID 119105973

IUPAC[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C17H18FN5O/c18-14-8-13(10-19-11-14)17(24)23-6-4-22(5-7-23)16-9-12-2-1-3-15(12)20-21-16/h8-11H,1-7H2
InChIKeyUXEALWMMVLCVKY-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.46
Rot. Bonds2

About [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone

[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone (PubChem CID 119105973) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
PubChem CID119105973
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C17H18FN5O/c18-14-8-13(10-19-11-14)17(24)23-6-4-22(5-7-23)16-9-12-2-1-3-15(12)20-21-16/h8-11H,1-7H2
InChIKeyUXEALWMMVLCVKY-UHFFFAOYSA-N
XLogP1.46
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 122281108
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
CID 122269137
(2-fluorophenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
CID 91632708
1,3-benzodioxol-5-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
CID 122281135
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-propylphenyl)methanone
CID 122281417
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122281024
(5-fluoro-3-pyridinyl)-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122341168
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 122281359
(2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
CID 122281052
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 122281033
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 122335628
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one
CID 122281083

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone (CID 119105973) is [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone is O=C(c1cncc(F)c1)N1CCN(c2cc3c(nn2)CCC3)CC1.
What is the InChIKey of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is UXEALWMMVLCVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-14-8-13(10-19-11-14)17(24)23-6-4-22(5-7-23)16-9-12-2-1-3-15(12)20-21-16/h8-11H,1-7H2.
What are the key properties of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 327.36 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 119105973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).