5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine

C18H14F2N6 — CID 162760294

IUPAC5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCc1nc2[nH]ncc2c(-c2c(-c3ccc(F)cn3)nn3c2CCC3)c1F
InChIInChI=1S/C18H14F2N6/c1-9-16(20)14(11-8-22-24-18(11)23-9)15-13-3-2-6-26(13)25-17(15)12-5-4-10(19)7-21-12/h4-5,7-8H,2-3,6H2,1H3,(H,22,23,24)
InChIKeyNGRSLGQVRVUUFO-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.42
Rot. Bonds2

About 5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine

5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 162760294) has the molecular formula C18H14F2N6 and a molecular weight of 352.35 g/mol. Its IUPAC name is 5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
PubChem CID162760294
Molecular FormulaC18H14F2N6
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCc1nc2[nH]ncc2c(-c2c(-c3ccc(F)cn3)nn3c2CCC3)c1F
InChIInChI=1S/C18H14F2N6/c1-9-16(20)14(11-8-22-24-18(11)23-9)15-13-3-2-6-26(13)25-17(15)12-5-4-10(19)7-21-12/h4-5,7-8H,2-3,6H2,1H3,(H,22,23,24)
InChIKeyNGRSLGQVRVUUFO-UHFFFAOYSA-N
XLogP3.42
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-[(6R)-6-fluoro-2-(5-fluoro-2-pyridinyl)-6-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 169306189
4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 162760154
4-[5-fluoro-2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 162760724
4-[(6S)-2-(5-fluoro-2-pyridinyl)-6-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 169305894
(6R)-1',1'-difluoro-3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,2'-cyclopropane]
CID 169305984
4-[2-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162760574
3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)-6,6-bis(trideuteriomethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760621
(6S)-2-(5-fluoro-2-pyridinyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169306013
4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 169305961
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
4-[2-(3,5-difluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760287
3-[6-(difluoromethyl)-1H-pyrazolo[5,4-b]pyridin-4-yl]-2-(5-fluoro-2-pyridinyl)-6,6-bis(trideuteriomethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760335

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (CID 162760294) is 5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is Cc1nc2[nH]ncc2c(-c2c(-c3ccc(F)cn3)nn3c2CCC3)c1F.
What is the InChIKey of 5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is NGRSLGQVRVUUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6/c1-9-16(20)14(11-8-22-24-18(11)23-9)15-13-3-2-6-26(13)25-17(15)12-5-4-10(19)7-21-12/h4-5,7-8H,2-3,6H2,1H3,(H,22,23,24).
What are the key properties of 5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 352.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162760294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).