7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole

C17H12FN5 — CID 73426428

IUPAC7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole
SMILESCc1cc2[nH]ncc2cc1-n1c2ccc(F)cc2c2[nH]ncc21
InChIInChI=1S/C17H12FN5/c1-9-4-13-10(7-19-21-13)5-15(9)23-14-3-2-11(18)6-12(14)17-16(23)8-20-22-17/h2-8H,1H3,(H,19,21)(H,20,22)
InChIKeyXXKLVEQACZAVIB-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.83
Rot. Bonds1

About 7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole

7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole (PubChem CID 73426428) has the molecular formula C17H12FN5 and a molecular weight of 305.32 g/mol. Its IUPAC name is 7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole.

Molecular Properties

Compound Name7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole
PubChem CID73426428
Molecular FormulaC17H12FN5
Molecular Weight305.32 g/mol
Exact Mass305.11
IUPAC Name7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole
SMILESCc1cc2[nH]ncc2cc1-n1c2ccc(F)cc2c2[nH]ncc21
InChIInChI=1S/C17H12FN5/c1-9-4-13-10(7-19-21-13)5-15(9)23-14-3-2-11(18)6-12(14)17-16(23)8-20-22-17/h2-8H,1H3,(H,19,21)(H,20,22)
InChIKeyXXKLVEQACZAVIB-UHFFFAOYSA-N
XLogP3.83
TPSA62.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole?
The IUPAC name of 7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole (CID 73426428) is 7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole.
What is the SMILES notation for 7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole?
The canonical SMILES for 7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole is Cc1cc2[nH]ncc2cc1-n1c2ccc(F)cc2c2[nH]ncc21.
What is the InChIKey of 7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole?
The InChIKey is XXKLVEQACZAVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5/c1-9-4-13-10(7-19-21-13)5-15(9)23-14-3-2-11(18)6-12(14)17-16(23)8-20-22-17/h2-8H,1H3,(H,19,21)(H,20,22).
What are the key properties of 7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole?
7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole has a molecular weight of 305.32 g/mol, XLogP of 3.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(6-methyl-1H-indazol-5-yl)-1H-pyrazolo[4,5-b]indole is sourced from PubChem (CID 73426428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).