(5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol

C16H13FN4O — CID 155370370

IUPAC(5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol
SMILESOC(Nc1cccc2[nH]ncc12)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C16H13FN4O/c17-10-4-5-12-9(6-10)7-15(19-12)16(22)20-13-2-1-3-14-11(13)8-18-21-14/h1-8,16,19-20,22H,(H,18,21)
InChIKeyLDEWAJXMSOMSQG-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.29
Rot. Bonds3

About (5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol

(5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol (PubChem CID 155370370) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol
PubChem CID155370370
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name(5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol
SMILESOC(Nc1cccc2[nH]ncc12)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C16H13FN4O/c17-10-4-5-12-9(6-10)7-15(19-12)16(22)20-13-2-1-3-14-11(13)8-18-21-14/h1-8,16,19-20,22H,(H,18,21)
InChIKeyLDEWAJXMSOMSQG-UHFFFAOYSA-N
XLogP3.29
TPSA76.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol (CID 155370370) is (5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol is OC(Nc1cccc2[nH]ncc12)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol?
The InChIKey is LDEWAJXMSOMSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-10-4-5-12-9(6-10)7-15(19-12)16(22)20-13-2-1-3-14-11(13)8-18-21-14/h1-8,16,19-20,22H,(H,18,21).
What are the key properties of (5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol?
(5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol has a molecular weight of 296.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol is sourced from PubChem (CID 155370370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).