6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one

C17H20FN5O — CID 126935041

IUPAC6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1CCC(Nc2ncc(F)cn2)CC1
InChIInChI=1S/C17H20FN5O/c18-12-9-19-17(20-10-12)21-13-3-5-14(6-4-13)23-16(24)8-7-15(22-23)11-1-2-11/h7-11,13-14H,1-6H2,(H,19,20,21)
InChIKeySBHZHYPIOBKVKP-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.65
Rot. Bonds4

About 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one

6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126935041) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126935041
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1CCC(Nc2ncc(F)cn2)CC1
InChIInChI=1S/C17H20FN5O/c18-12-9-19-17(20-10-12)21-13-3-5-14(6-4-13)23-16(24)8-7-15(22-23)11-1-2-11/h7-11,13-14H,1-6H2,(H,19,20,21)
InChIKeySBHZHYPIOBKVKP-UHFFFAOYSA-N
XLogP2.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[3-[2-(3-fluorobut-3-enylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide
CID 156486280
2-[4-amino-5-(cyclopropyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 168979822
2-[(4Z,5E)-5-[(E)-3-cyclopropylbut-2-enylidene]-6-oxo-3-propan-2-yl-4-propylidenepyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 170078216
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 90634138
2-{[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126854357
6-Tert-butyl-2-{[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862316
6-Tert-butyl-2-{[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862586
2-{[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126862790
2-{[1-(5-Fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126863052
2-{[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126864787
6-Cyclopropyl-2-{[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126865244
6-Cyclopropyl-2-{[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126865508

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one (CID 126935041) is 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1C1CCC(Nc2ncc(F)cn2)CC1.
What is the InChIKey of 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is SBHZHYPIOBKVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c18-12-9-19-17(20-10-12)21-13-3-5-14(6-4-13)23-16(24)8-7-15(22-23)11-1-2-11/h7-11,13-14H,1-6H2,(H,19,20,21).
What are the key properties of 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one?
6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 329.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126935041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).