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

C14H9FN4 — CID 73426249

IUPAC7-fluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole
SMILESFc1ccc2c(c1)c1[nH]ncc1n2-c1cccnc1
InChIInChI=1S/C14H9FN4/c15-9-3-4-12-11(6-9)14-13(8-17-18-14)19(12)10-2-1-5-16-7-10/h1-8H,(H,17,18)
InChIKeyBPCCTTNRJCTGHS-UHFFFAOYSA-N
MW252.25 g/mol
LogP3.04
Rot. Bonds1

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

7-fluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole (PubChem CID 73426249) has the molecular formula C14H9FN4 and a molecular weight of 252.25 g/mol. Its IUPAC name is 7-fluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole.

Molecular Properties

Compound Name7-fluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole
PubChem CID73426249
Molecular FormulaC14H9FN4
Molecular Weight252.25 g/mol
Exact Mass252.08
IUPAC Name7-fluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole
SMILESFc1ccc2c(c1)c1[nH]ncc1n2-c1cccnc1
InChIInChI=1S/C14H9FN4/c15-9-3-4-12-11(6-9)14-13(8-17-18-14)19(12)10-2-1-5-16-7-10/h1-8H,(H,17,18)
InChIKeyBPCCTTNRJCTGHS-UHFFFAOYSA-N
XLogP3.04
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole?
The IUPAC name of 7-fluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole (CID 73426249) is 7-fluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole.
What is the SMILES notation for 7-fluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole?
The canonical SMILES for 7-fluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole is Fc1ccc2c(c1)c1[nH]ncc1n2-c1cccnc1.
What is the InChIKey of 7-fluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole?
The InChIKey is BPCCTTNRJCTGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4/c15-9-3-4-12-11(6-9)14-13(8-17-18-14)19(12)10-2-1-5-16-7-10/h1-8H,(H,17,18).
What are the key properties of 7-fluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole?
7-fluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole has a molecular weight of 252.25 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole is sourced from PubChem (CID 73426249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).