[5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine

C21H25FN4O — CID 146557621

IUPAC[5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine
SMILESC[C@]1(c2ccc(-n3cc4cc(F)cc(COCN)c4n3)cc2)CCCNC1
InChIInChI=1S/C21H25FN4O/c1-21(7-2-8-24-13-21)17-3-5-19(6-4-17)26-11-15-9-18(22)10-16(12-27-14-23)20(15)25-26/h3-6,9-11,24H,2,7-8,12-14,23H2,1H3/t21-/m0/s1
InChIKeyYCRAXPFIBKEJPD-NRFANRHFSA-N
MW368.46 g/mol
LogP3.24
Rot. Bonds5

About [5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine

[5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine (PubChem CID 146557621) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is [5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine.

Molecular Properties

Compound Name[5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine
PubChem CID146557621
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name[5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine
SMILESC[C@]1(c2ccc(-n3cc4cc(F)cc(COCN)c4n3)cc2)CCCNC1
InChIInChI=1S/C21H25FN4O/c1-21(7-2-8-24-13-21)17-3-5-19(6-4-17)26-11-15-9-18(22)10-16(12-27-14-23)20(15)25-26/h3-6,9-11,24H,2,7-8,12-14,23H2,1H3/t21-/m0/s1
InChIKeyYCRAXPFIBKEJPD-NRFANRHFSA-N
XLogP3.24
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
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 [5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine?
The IUPAC name of [5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine (CID 146557621) is [5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine.
What is the SMILES notation for [5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine?
The canonical SMILES for [5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine is C[C@]1(c2ccc(-n3cc4cc(F)cc(COCN)c4n3)cc2)CCCNC1.
What is the InChIKey of [5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine?
The InChIKey is YCRAXPFIBKEJPD-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-21(7-2-8-24-13-21)17-3-5-19(6-4-17)26-11-15-9-18(22)10-16(12-27-14-23)20(15)25-26/h3-6,9-11,24H,2,7-8,12-14,23H2,1H3/t21-/m0/s1.
What are the key properties of [5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine?
[5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine has a molecular weight of 368.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine is sourced from PubChem (CID 146557621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).