6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine

C20H26FN3O — CID 145274678

IUPAC6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine
SMILESC[C@H](Oc1cc(F)c2c(N)n[nH]c2c1)C1CCC(=CC2CCC2)CC1
InChIInChI=1S/C20H26FN3O/c1-12(15-7-5-14(6-8-15)9-13-3-2-4-13)25-16-10-17(21)19-18(11-16)23-24-20(19)22/h9-13,15H,2-8H2,1H3,(H3,22,23,24)/b14-9-/t12-,15?/m0/s1
InChIKeyUCMYYDDCSWILIA-RTNULICESA-N
MW343.45 g/mol
LogP4.97
Rot. Bonds4

About 6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine

6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine (PubChem CID 145274678) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine
PubChem CID145274678
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine
SMILESC[C@H](Oc1cc(F)c2c(N)n[nH]c2c1)C1CCC(=CC2CCC2)CC1
InChIInChI=1S/C20H26FN3O/c1-12(15-7-5-14(6-8-15)9-13-3-2-4-13)25-16-10-17(21)19-18(11-16)23-24-20(19)22/h9-13,15H,2-8H2,1H3,(H3,22,23,24)/b14-9-/t12-,15?/m0/s1
InChIKeyUCMYYDDCSWILIA-RTNULICESA-N
XLogP4.97
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.97
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 6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine?
The IUPAC name of 6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine (CID 145274678) is 6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine.
What is the SMILES notation for 6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine?
The canonical SMILES for 6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine is C[C@H](Oc1cc(F)c2c(N)n[nH]c2c1)C1CCC(=CC2CCC2)CC1.
What is the InChIKey of 6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine?
The InChIKey is UCMYYDDCSWILIA-RTNULICESA-N. The full InChI is InChI=1S/C20H26FN3O/c1-12(15-7-5-14(6-8-15)9-13-3-2-4-13)25-16-10-17(21)19-18(11-16)23-24-20(19)22/h9-13,15H,2-8H2,1H3,(H3,22,23,24)/b14-9-/t12-,15?/m0/s1.
What are the key properties of 6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine?
6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine has a molecular weight of 343.45 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[4-(cyclobutylmethylidene)cyclohexyl]ethoxy]-4-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 145274678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).