4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole

C17H13FN6 — CID 73426346

IUPAC4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole
SMILESCc1nc2c(cc1-n1c3ccc(F)cc3c3[nH]ncc31)ncn2C
InChIInChI=1S/C17H13FN6/c1-9-14(6-12-17(21-9)23(2)8-19-12)24-13-4-3-10(18)5-11(13)16-15(24)7-20-22-16/h3-8H,1-2H3,(H,20,22)
InChIKeyIUZBXISRROMZSL-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.24
Rot. Bonds1

About 4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole

4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole (PubChem CID 73426346) has the molecular formula C17H13FN6 and a molecular weight of 320.33 g/mol. Its IUPAC name is 4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole.

Molecular Properties

Compound Name4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole
PubChem CID73426346
Molecular FormulaC17H13FN6
Molecular Weight320.33 g/mol
Exact Mass320.12
IUPAC Name4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole
SMILESCc1nc2c(cc1-n1c3ccc(F)cc3c3[nH]ncc31)ncn2C
InChIInChI=1S/C17H13FN6/c1-9-14(6-12-17(21-9)23(2)8-19-12)24-13-4-3-10(18)5-11(13)16-15(24)7-20-22-16/h3-8H,1-2H3,(H,20,22)
InChIKeyIUZBXISRROMZSL-UHFFFAOYSA-N
XLogP3.24
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole?
The IUPAC name of 4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole (CID 73426346) is 4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole.
What is the SMILES notation for 4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole?
The canonical SMILES for 4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole is Cc1nc2c(cc1-n1c3ccc(F)cc3c3[nH]ncc31)ncn2C.
What is the InChIKey of 4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole?
The InChIKey is IUZBXISRROMZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6/c1-9-14(6-12-17(21-9)23(2)8-19-12)24-13-4-3-10(18)5-11(13)16-15(24)7-20-22-16/h3-8H,1-2H3,(H,20,22).
What are the key properties of 4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole?
4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole has a molecular weight of 320.33 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole is sourced from PubChem (CID 73426346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).