2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C17H20FN5O — CID 126935378

IUPAC2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3ncc(F)cn3)CC1)CCC2
InChIInChI=1S/C17H20FN5O/c18-12-9-19-17(20-10-12)21-13-4-6-14(7-5-13)23-16(24)8-11-2-1-3-15(11)22-23/h8-10,13-14H,1-7H2,(H,19,20,21)
InChIKeyJYZRTLSDWPFEMZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.26
Rot. Bonds3

About 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126935378) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126935378
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3ncc(F)cn3)CC1)CCC2
InChIInChI=1S/C17H20FN5O/c18-12-9-19-17(20-10-12)21-13-4-6-14(7-5-13)23-16(24)8-11-2-1-3-15(11)22-23/h8-10,13-14H,1-7H2,(H,19,20,21)
InChIKeyJYZRTLSDWPFEMZ-UHFFFAOYSA-N
XLogP2.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

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Related Compounds

6-[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 126688221
7-[[3-[4-[5-[Difluoro(phosphanyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-3-oxopropyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171492750
(7S)-7-[[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171492760
(7R)-7-[[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171492802
7-[[3-Oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171493140
N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-2-[[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]amino]acetamide
CID 171493228
3-oxo-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propanamide
CID 171493275
N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-2-[[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]amino]acetamide
CID 171493454
7-[[4-Oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171493541
(2S)-N-[(7R)-3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-2-[[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]amino]propanamide
CID 171493542
(2R)-N-[(7R)-3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-2-[[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]amino]propanamide
CID 171493562
(2S)-N-[(7S)-3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-2-[[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]amino]propanamide
CID 171493625

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126935378) is 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1C1CCC(Nc3ncc(F)cn3)CC1)CCC2.
What is the InChIKey of 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is JYZRTLSDWPFEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c18-12-9-19-17(20-10-12)21-13-4-6-14(7-5-13)23-16(24)8-11-2-1-3-15(11)22-23/h8-10,13-14H,1-7H2,(H,19,20,21).
What are the key properties of 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 329.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126935378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).