2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one

C19H15F2N3O3 — CID 135620483

IUPAC2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
SMILESO=c1[nH]ncc2[nH]c(-c3ccc(OC(F)F)c4c3C=CC(C3CC3)O4)cc12
InChIInChI=1S/C19H15F2N3O3/c20-19(21)27-16-6-3-10(11-4-5-15(9-1-2-9)26-17(11)16)13-7-12-14(23-13)8-22-24-18(12)25/h3-9,15,19,23H,1-2H2,(H,24,25)
InChIKeyVMRYZINKIDGCPC-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.70
Rot. Bonds4

About 2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one

2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (PubChem CID 135620483) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is 2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
PubChem CID135620483
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC Name2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
SMILESO=c1[nH]ncc2[nH]c(-c3ccc(OC(F)F)c4c3C=CC(C3CC3)O4)cc12
InChIInChI=1S/C19H15F2N3O3/c20-19(21)27-16-6-3-10(11-4-5-15(9-1-2-9)26-17(11)16)13-7-12-14(23-13)8-22-24-18(12)25/h3-9,15,19,23H,1-2H2,(H,24,25)
InChIKeyVMRYZINKIDGCPC-UHFFFAOYSA-N
XLogP3.70
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-2-[8-(difluoromethoxy)-2,2-dimethylchromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
CID 135620479
3-chloro-2-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
CID 135845052
2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hexyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
CID 135845012
2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-iodo-1-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one
CID 66602914
2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-1-(4-methylpent-2-ynyl)-5H-pyrrolo[2,3-d]pyridazin-4-one
CID 152742849
1-[[2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxyphenyl]methyl]-5H-pyrrolo[2,3-d]pyridazin-4-one
CID 66602337
2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
CID 136508628
5-(difluoromethoxy)-1H-quinoxalin-2-one
CID 133058729
5-chloro-6-(difluoromethoxy)-1H-indazole
CID 171662371
5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole
CID 175714814
3-[3-(difluoromethoxy)-4-methylanilino]pyrrolidin-2-one
CID 139010401
7-(difluoromethoxy)-2,3-dihydro-1,3-benzoxazole-2-carbothialdehyde
CID 174783947

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The IUPAC name of 2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (CID 135620483) is 2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The canonical SMILES for 2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one is O=c1[nH]ncc2[nH]c(-c3ccc(OC(F)F)c4c3C=CC(C3CC3)O4)cc12.
What is the InChIKey of 2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The InChIKey is VMRYZINKIDGCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c20-19(21)27-16-6-3-10(11-4-5-15(9-1-2-9)26-17(11)16)13-7-12-14(23-13)8-22-24-18(12)25/h3-9,15,19,23H,1-2H2,(H,24,25).
What are the key properties of 2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one has a molecular weight of 371.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-8-(difluoromethoxy)-2H-chromen-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 135620483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).