4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one

C21H19ClF2N4O2 — CID 60502435

IUPAC4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NCc2cccnc2OC2CCCC2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C21H19ClF2N4O2/c22-19-17(12-27-28(21(19)29)18-8-7-14(23)10-16(18)24)26-11-13-4-3-9-25-20(13)30-15-5-1-2-6-15/h3-4,7-10,12,15,26H,1-2,5-6,11H2
InChIKeyLDKPCDHWEIJCMO-UHFFFAOYSA-N
MW432.86 g/mol
LogP4.49
Rot. Bonds6

About 4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one

4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one (PubChem CID 60502435) has the molecular formula C21H19ClF2N4O2 and a molecular weight of 432.86 g/mol. Its IUPAC name is 4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one
PubChem CID60502435
Molecular FormulaC21H19ClF2N4O2
Molecular Weight432.86 g/mol
Exact Mass432.12
IUPAC Name4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NCc2cccnc2OC2CCCC2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C21H19ClF2N4O2/c22-19-17(12-27-28(21(19)29)18-8-7-14(23)10-16(18)24)26-11-13-4-3-9-25-20(13)30-15-5-1-2-6-15/h3-4,7-10,12,15,26H,1-2,5-6,11H2
InChIKeyLDKPCDHWEIJCMO-UHFFFAOYSA-N
XLogP4.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one (CID 60502435) is 4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one is O=c1c(Cl)c(NCc2cccnc2OC2CCCC2)cnn1-c1ccc(F)cc1F.
What is the InChIKey of 4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one?
The InChIKey is LDKPCDHWEIJCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O2/c22-19-17(12-27-28(21(19)29)18-8-7-14(23)10-16(18)24)26-11-13-4-3-9-25-20(13)30-15-5-1-2-6-15/h3-4,7-10,12,15,26H,1-2,5-6,11H2.
What are the key properties of 4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one?
4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one has a molecular weight of 432.86 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one is sourced from PubChem (CID 60502435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).