5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole

C16H13FN4 — CID 143915083

IUPAC5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole
SMILESFC1=CCC2NC(c3ccc(-n4ccnc4)nc3)=CC2=C1
InChIInChI=1S/C16H13FN4/c17-13-2-3-14-12(7-13)8-15(20-14)11-1-4-16(19-9-11)21-6-5-18-10-21/h1-2,4-10,14,20H,3H2
InChIKeyPQNMJIADVMSGQX-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.76
Rot. Bonds2

About 5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole

5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole (PubChem CID 143915083) has the molecular formula C16H13FN4 and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole
PubChem CID143915083
Molecular FormulaC16H13FN4
Molecular Weight280.31 g/mol
Exact Mass280.11
IUPAC Name5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole
SMILESFC1=CCC2NC(c3ccc(-n4ccnc4)nc3)=CC2=C1
InChIInChI=1S/C16H13FN4/c17-13-2-3-14-12(7-13)8-15(20-14)11-1-4-16(19-9-11)21-6-5-18-10-21/h1-2,4-10,14,20H,3H2
InChIKeyPQNMJIADVMSGQX-UHFFFAOYSA-N
XLogP2.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole?
The IUPAC name of 5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole (CID 143915083) is 5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole.
What is the SMILES notation for 5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole?
The canonical SMILES for 5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole is FC1=CCC2NC(c3ccc(-n4ccnc4)nc3)=CC2=C1.
What is the InChIKey of 5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole?
The InChIKey is PQNMJIADVMSGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4/c17-13-2-3-14-12(7-13)8-15(20-14)11-1-4-16(19-9-11)21-6-5-18-10-21/h1-2,4-10,14,20H,3H2.
What are the key properties of 5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole?
5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole has a molecular weight of 280.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(6-imidazol-1-yl-3-pyridinyl)-7,7a-dihydro-1H-indole is sourced from PubChem (CID 143915083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).