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

C20H22F2N4O — CID 154968176

IUPAC[4-fluoro-2-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine
SMILESNCOCc1ccc(F)c2cn(-c3ccc([C@]4(F)CCCNC4)cc3)nc12
InChIInChI=1S/C20H22F2N4O/c21-18-7-2-14(11-27-13-23)19-17(18)10-26(25-19)16-5-3-15(4-6-16)20(22)8-1-9-24-12-20/h2-7,10,24H,1,8-9,11-13,23H2/t20-/m0/s1
InChIKeyFISLXMITORNIAY-FQEVSTJZSA-N
MW372.42 g/mol
LogP3.15
Rot. Bonds5

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

[4-fluoro-2-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine (PubChem CID 154968176) has the molecular formula C20H22F2N4O and a molecular weight of 372.42 g/mol. Its IUPAC name is [4-fluoro-2-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine.

Molecular Properties

Compound Name[4-fluoro-2-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine
PubChem CID154968176
Molecular FormulaC20H22F2N4O
Molecular Weight372.42 g/mol
Exact Mass372.18
IUPAC Name[4-fluoro-2-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine
SMILESNCOCc1ccc(F)c2cn(-c3ccc([C@]4(F)CCCNC4)cc3)nc12
InChIInChI=1S/C20H22F2N4O/c21-18-7-2-14(11-27-13-23)19-17(18)10-26(25-19)16-5-3-15(4-6-16)20(22)8-1-9-24-12-20/h2-7,10,24H,1,8-9,11-13,23H2/t20-/m0/s1
InChIKeyFISLXMITORNIAY-FQEVSTJZSA-N
XLogP3.15
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.15
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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Related Compounds

[5-fluoro-2-[4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine
CID 146557621
6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146556799
5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146556789
6-fluoro-4-[[4-fluoro-2-[4-(3-methylpiperidin-3-yl)phenyl]indazole-7-carbonyl]amino]-2-[4-[(3S)-3-methylpiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 154968203
3-fluoro-3-(4-propoxyphenyl)piperidine
CID 112562960
2-[4-[(3R)-3-cyclopropylpiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146557119
2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146557129
amino-[2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazol-7-yl]methanol
CID 166763682
(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547144
(3S)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547145
2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide
CID 118018094
3-(3-fluoropiperidin-3-yl)quinoline
CID 112562920

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine?
The IUPAC name of [4-fluoro-2-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine (CID 154968176) is [4-fluoro-2-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine.
What is the SMILES notation for [4-fluoro-2-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine?
The canonical SMILES for [4-fluoro-2-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine is NCOCc1ccc(F)c2cn(-c3ccc([C@]4(F)CCCNC4)cc3)nc12.
What is the InChIKey of [4-fluoro-2-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine?
The InChIKey is FISLXMITORNIAY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22F2N4O/c21-18-7-2-14(11-27-13-23)19-17(18)10-26(25-19)16-5-3-15(4-6-16)20(22)8-1-9-24-12-20/h2-7,10,24H,1,8-9,11-13,23H2/t20-/m0/s1.
What are the key properties of [4-fluoro-2-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine?
[4-fluoro-2-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine has a molecular weight of 372.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]indazol-7-yl]methoxymethanamine is sourced from PubChem (CID 154968176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).