amino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol

C20H23FN4O — CID 166763682

IUPACamino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol
SMILESCC1(c2ccc(-n3cc4cccc(C(N)O)c4n3)cc2F)CCCNC1
InChIInChI=1S/C20H23FN4O/c1-20(8-3-9-23-12-20)16-7-6-14(10-17(16)21)25-11-13-4-2-5-15(19(22)26)18(13)24-25/h2,4-7,10-11,19,23,26H,3,8-9,12,22H2,1H3
InChIKeyNFXBHZAIUQVXAU-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.76
Rot. Bonds3

About amino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol

amino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol (PubChem CID 166763682) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is amino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol.

Molecular Properties

Compound Nameamino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol
PubChem CID166763682
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Nameamino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol
SMILESCC1(c2ccc(-n3cc4cccc(C(N)O)c4n3)cc2F)CCCNC1
InChIInChI=1S/C20H23FN4O/c1-20(8-3-9-23-12-20)16-7-6-14(10-17(16)21)25-11-13-4-2-5-15(19(22)26)18(13)24-25/h2,4-7,10-11,19,23,26H,3,8-9,12,22H2,1H3
InChIKeyNFXBHZAIUQVXAU-UHFFFAOYSA-N
XLogP2.76
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 amino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol?
The IUPAC name of amino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol (CID 166763682) is amino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol.
What is the SMILES notation for amino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol?
The canonical SMILES for amino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol is CC1(c2ccc(-n3cc4cccc(C(N)O)c4n3)cc2F)CCCNC1.
What is the InChIKey of amino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol?
The InChIKey is NFXBHZAIUQVXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-20(8-3-9-23-12-20)16-7-6-14(10-17(16)21)25-11-13-4-2-5-15(19(22)26)18(13)24-25/h2,4-7,10-11,19,23,26H,3,8-9,12,22H2,1H3.
What are the key properties of amino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol?
amino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol has a molecular weight of 354.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol is sourced from PubChem (CID 166763682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).