2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

C17H20FN5O2 — CID 126936013

IUPAC2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3ncc(F)cn3)CC1)CCOC2
InChIInChI=1S/C17H20FN5O2/c18-12-8-19-17(20-9-12)21-13-1-3-14(4-2-13)23-16(24)7-11-10-25-6-5-15(11)22-23/h7-9,13-14H,1-6,10H2,(H,19,20,21)
InChIKeyKWEHASFFTCHAQU-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.84
Rot. Bonds3

About 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (PubChem CID 126936013) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
PubChem CID126936013
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3ncc(F)cn3)CC1)CCOC2
InChIInChI=1S/C17H20FN5O2/c18-12-8-19-17(20-9-12)21-13-1-3-14(4-2-13)23-16(24)7-11-10-25-6-5-15(11)22-23/h7-9,13-14H,1-6,10H2,(H,19,20,21)
InChIKeyKWEHASFFTCHAQU-UHFFFAOYSA-N
XLogP1.84
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (CID 126936013) is 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is O=c1cc2c(nn1C1CCC(Nc3ncc(F)cn3)CC1)CCOC2.
What is the InChIKey of 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The InChIKey is KWEHASFFTCHAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c18-12-8-19-17(20-9-12)21-13-1-3-14(4-2-13)23-16(24)7-11-10-25-6-5-15(11)22-23/h7-9,13-14H,1-6,10H2,(H,19,20,21).
What are the key properties of 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one has a molecular weight of 345.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126936013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).