5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one

C16H17ClF2N6O — CID 175651639

IUPAC5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)c1Cl
InChIInChI=1S/C16H17ClF2N6O/c17-13-11(8-20-23-16(13)26)24-3-5-25(6-4-24)12-7-10(14(18)19)21-15(22-12)9-1-2-9/h7-9,14H,1-6H2,(H,23,26)
InChIKeyZAVQJTPRBICYGO-UHFFFAOYSA-N
MW382.80 g/mol
LogP2.35
Rot. Bonds4

About 5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 175651639) has the molecular formula C16H17ClF2N6O and a molecular weight of 382.80 g/mol. Its IUPAC name is 5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID175651639
Molecular FormulaC16H17ClF2N6O
Molecular Weight382.80 g/mol
Exact Mass382.11
IUPAC Name5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)c1Cl
InChIInChI=1S/C16H17ClF2N6O/c17-13-11(8-20-23-16(13)26)24-3-5-25(6-4-24)12-7-10(14(18)19)21-15(22-12)9-1-2-9/h7-9,14H,1-6H2,(H,23,26)
InChIKeyZAVQJTPRBICYGO-UHFFFAOYSA-N
XLogP2.35
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one (CID 175651639) is 5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is ZAVQJTPRBICYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N6O/c17-13-11(8-20-23-16(13)26)24-3-5-25(6-4-24)12-7-10(14(18)19)21-15(22-12)9-1-2-9/h7-9,14H,1-6H2,(H,23,26).
What are the key properties of 5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 382.80 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 175651639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).