6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole

C20H17FN4 — CID 122589935

IUPAC6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole
SMILESCc1cc(-c2nn3c(c2-c2ccc4cn[nH]c4c2)CCC3)ccc1F
InChIInChI=1S/C20H17FN4/c1-12-9-14(6-7-16(12)21)20-19(18-3-2-8-25(18)24-20)13-4-5-15-11-22-23-17(15)10-13/h4-7,9-11H,2-3,8H2,1H3,(H,22,23)
InChIKeyVXSKGGMPTXZYKS-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.49
Rot. Bonds2

About 6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole

6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole (PubChem CID 122589935) has the molecular formula C20H17FN4 and a molecular weight of 332.38 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole
PubChem CID122589935
Molecular FormulaC20H17FN4
Molecular Weight332.38 g/mol
Exact Mass332.14
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole
SMILESCc1cc(-c2nn3c(c2-c2ccc4cn[nH]c4c2)CCC3)ccc1F
InChIInChI=1S/C20H17FN4/c1-12-9-14(6-7-16(12)21)20-19(18-3-2-8-25(18)24-20)13-4-5-15-11-22-23-17(15)10-13/h4-7,9-11H,2-3,8H2,1H3,(H,22,23)
InChIKeyVXSKGGMPTXZYKS-UHFFFAOYSA-N
XLogP4.49
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole (CID 122589935) is 6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole is Cc1cc(-c2nn3c(c2-c2ccc4cn[nH]c4c2)CCC3)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole?
The InChIKey is VXSKGGMPTXZYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4/c1-12-9-14(6-7-16(12)21)20-19(18-3-2-8-25(18)24-20)13-4-5-15-11-22-23-17(15)10-13/h4-7,9-11H,2-3,8H2,1H3,(H,22,23).
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole?
6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole has a molecular weight of 332.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole is sourced from PubChem (CID 122589935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).