3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one

C17H14ClF2N3O3 — CID 135845052

IUPAC3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
SMILESO=c1[nH]ncc2[nH]c(-c3ccc(OC(F)F)cc3OCC3CC3)c(Cl)c12
InChIInChI=1S/C17H14ClF2N3O3/c18-14-13-11(6-21-23-16(13)24)22-15(14)10-4-3-9(26-17(19)20)5-12(10)25-7-8-1-2-8/h3-6,8,17,22H,1-2,7H2,(H,23,24)
InChIKeyHUUAGGQPCZTKHI-UHFFFAOYSA-N
MW381.77 g/mol
LogP3.96
Rot. Bonds6

About 3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one

3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (PubChem CID 135845052) has the molecular formula C17H14ClF2N3O3 and a molecular weight of 381.77 g/mol. Its IUPAC name is 3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
PubChem CID135845052
Molecular FormulaC17H14ClF2N3O3
Molecular Weight381.77 g/mol
Exact Mass381.07
IUPAC Name3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
SMILESO=c1[nH]ncc2[nH]c(-c3ccc(OC(F)F)cc3OCC3CC3)c(Cl)c12
InChIInChI=1S/C17H14ClF2N3O3/c18-14-13-11(6-21-23-16(13)24)22-15(14)10-4-3-9(26-17(19)20)5-12(10)25-7-8-1-2-8/h3-6,8,17,22H,1-2,7H2,(H,23,24)
InChIKeyHUUAGGQPCZTKHI-UHFFFAOYSA-N
XLogP3.96
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.77
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The IUPAC name of 3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (CID 135845052) is 3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The canonical SMILES for 3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one is O=c1[nH]ncc2[nH]c(-c3ccc(OC(F)F)cc3OCC3CC3)c(Cl)c12.
What is the InChIKey of 3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The InChIKey is HUUAGGQPCZTKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O3/c18-14-13-11(6-21-23-16(13)24)22-15(14)10-4-3-9(26-17(19)20)5-12(10)25-7-8-1-2-8/h3-6,8,17,22H,1-2,7H2,(H,23,24).
What are the key properties of 3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one has a molecular weight of 381.77 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 135845052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).