4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one

C16H18ClFN6O — CID 171999784

IUPAC4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(c3ncncc3F)CC2)cnn1CC1CC1
InChIInChI=1S/C16H18ClFN6O/c17-14-13(8-21-24(16(14)25)9-11-1-2-11)22-3-5-23(6-4-22)15-12(18)7-19-10-20-15/h7-8,10-11H,1-6,9H2
InChIKeyYQLCGNCRZGOREC-UHFFFAOYSA-N
MW364.81 g/mol
LogP1.56
Rot. Bonds4

About 4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one

4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one (PubChem CID 171999784) has the molecular formula C16H18ClFN6O and a molecular weight of 364.81 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
PubChem CID171999784
Molecular FormulaC16H18ClFN6O
Molecular Weight364.81 g/mol
Exact Mass364.12
IUPAC Name4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(c3ncncc3F)CC2)cnn1CC1CC1
InChIInChI=1S/C16H18ClFN6O/c17-14-13(8-21-24(16(14)25)9-11-1-2-11)22-3-5-23(6-4-22)15-12(18)7-19-10-20-15/h7-8,10-11H,1-6,9H2
InChIKeyYQLCGNCRZGOREC-UHFFFAOYSA-N
XLogP1.56
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one (CID 171999784) is 4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one is O=c1c(Cl)c(N2CCN(c3ncncc3F)CC2)cnn1CC1CC1.
What is the InChIKey of 4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is YQLCGNCRZGOREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN6O/c17-14-13(8-21-24(16(14)25)9-11-1-2-11)22-3-5-23(6-4-22)15-12(18)7-19-10-20-15/h7-8,10-11H,1-6,9H2.
What are the key properties of 4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one?
4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 364.81 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 171999784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).