1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane]

C19H12F4N6 — CID 169001923

IUPAC1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane]
SMILESFc1ccc(-c2nn3c(c2-c2c(F)cnc4[nH]ncc24)CC2(C3)CC2(F)F)nc1
InChIInChI=1S/C19H12F4N6/c20-9-1-2-12(24-4-9)16-15(14-10-5-26-27-17(10)25-6-11(14)21)13-3-18(7-19(18,22)23)8-29(13)28-16/h1-2,4-6H,3,7-8H2,(H,25,26,27)
InChIKeyNWFSYUQMIMEASJ-UHFFFAOYSA-N
MW400.34 g/mol
LogP3.74
Rot. Bonds2

About 1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane]

1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane] (PubChem CID 169001923) has the molecular formula C19H12F4N6 and a molecular weight of 400.34 g/mol. Its IUPAC name is 1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane].

Molecular Properties

Compound Name1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane]
PubChem CID169001923
Molecular FormulaC19H12F4N6
Molecular Weight400.34 g/mol
Exact Mass400.11
IUPAC Name1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane]
SMILESFc1ccc(-c2nn3c(c2-c2c(F)cnc4[nH]ncc24)CC2(C3)CC2(F)F)nc1
InChIInChI=1S/C19H12F4N6/c20-9-1-2-12(24-4-9)16-15(14-10-5-26-27-17(10)25-6-11(14)21)13-3-18(7-19(18,22)23)8-29(13)28-16/h1-2,4-6H,3,7-8H2,(H,25,26,27)
InChIKeyNWFSYUQMIMEASJ-UHFFFAOYSA-N
XLogP3.74
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane]?
The IUPAC name of 1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane] (CID 169001923) is 1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane].
What is the SMILES notation for 1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane]?
The canonical SMILES for 1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane] is Fc1ccc(-c2nn3c(c2-c2c(F)cnc4[nH]ncc24)CC2(C3)CC2(F)F)nc1.
What is the InChIKey of 1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane]?
The InChIKey is NWFSYUQMIMEASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N6/c20-9-1-2-12(24-4-9)16-15(14-10-5-26-27-17(10)25-6-11(14)21)13-3-18(7-19(18,22)23)8-29(13)28-16/h1-2,4-6H,3,7-8H2,(H,25,26,27).
What are the key properties of 1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane]?
1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane] has a molecular weight of 400.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1'-difluoro-3-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,2'-cyclopropane] is sourced from PubChem (CID 169001923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).