4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine

C19H26FN3O — CID 126716628

IUPAC4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine
SMILESCC(C)C=C1CCC([C@@H](C)Oc2cc(F)c3c(N)n[nH]c3c2)CC1
InChIInChI=1S/C19H26FN3O/c1-11(2)8-13-4-6-14(7-5-13)12(3)24-15-9-16(20)18-17(10-15)22-23-19(18)21/h8-12,14H,4-7H2,1-3H3,(H3,21,22,23)/b13-8-/t12-,14?/m1/s1
InChIKeyWDTSGJWYZWUNRS-UPVORHMYSA-N
MW331.44 g/mol
LogP4.82
Rot. Bonds4

About 4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine

4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine (PubChem CID 126716628) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine.

Molecular Properties

Compound Name4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine
PubChem CID126716628
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine
SMILESCC(C)C=C1CCC([C@@H](C)Oc2cc(F)c3c(N)n[nH]c3c2)CC1
InChIInChI=1S/C19H26FN3O/c1-11(2)8-13-4-6-14(7-5-13)12(3)24-15-9-16(20)18-17(10-15)22-23-19(18)21/h8-12,14H,4-7H2,1-3H3,(H3,21,22,23)/b13-8-/t12-,14?/m1/s1
InChIKeyWDTSGJWYZWUNRS-UPVORHMYSA-N
XLogP4.82
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine?
The IUPAC name of 4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine (CID 126716628) is 4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine.
What is the SMILES notation for 4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine?
The canonical SMILES for 4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine is CC(C)C=C1CCC([C@@H](C)Oc2cc(F)c3c(N)n[nH]c3c2)CC1.
What is the InChIKey of 4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine?
The InChIKey is WDTSGJWYZWUNRS-UPVORHMYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-11(2)8-13-4-6-14(7-5-13)12(3)24-15-9-16(20)18-17(10-15)22-23-19(18)21/h8-12,14H,4-7H2,1-3H3,(H3,21,22,23)/b13-8-/t12-,14?/m1/s1.
What are the key properties of 4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine?
4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine has a molecular weight of 331.44 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(1R)-1-[4-(2-methylpropylidene)cyclohexyl]ethoxy]-1H-indazol-3-amine is sourced from PubChem (CID 126716628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).