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

C18H14F2N6 — CID 162760724

IUPAC4-[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
SMILESCc1cc(-c2c(-c3ccc(F)cn3)nn3c2CC(F)C3)c2cn[nH]c2n1
InChIInChI=1S/C18H14F2N6/c1-9-4-12(13-7-22-24-18(13)23-9)16-15-5-11(20)8-26(15)25-17(16)14-3-2-10(19)6-21-14/h2-4,6-7,11H,5,8H2,1H3,(H,22,23,24)
InChIKeyMJPBIUHENVWKGR-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.23
Rot. Bonds2

About 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

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 (PubChem CID 162760724) has the molecular formula C18H14F2N6 and a molecular weight of 352.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID162760724
Molecular FormulaC18H14F2N6
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name4-[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
SMILESCc1cc(-c2c(-c3ccc(F)cn3)nn3c2CC(F)C3)c2cn[nH]c2n1
InChIInChI=1S/C18H14F2N6/c1-9-4-12(13-7-22-24-18(13)23-9)16-15-5-11(20)8-26(15)25-17(16)14-3-2-10(19)6-21-14/h2-4,6-7,11H,5,8H2,1H3,(H,22,23,24)
InChIKeyMJPBIUHENVWKGR-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2c(-c3ccc(F)cn3)nn3c2CC(F)C3)c2cn[nH]c2n1.
What is the InChIKey of 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?
The InChIKey is MJPBIUHENVWKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6/c1-9-4-12(13-7-22-24-18(13)23-9)16-15-5-11(20)8-26(15)25-17(16)14-3-2-10(19)6-21-14/h2-4,6-7,11H,5,8H2,1H3,(H,22,23,24).
What are the key properties of 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?
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 has a molecular weight of 352.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162760724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).