6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane

C19H27FN2O — CID 145274702

IUPAC6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane
SMILESCC1CCC1.Fc1cc(OCC2CCCCC2)cc2[nH]ncc12
InChIInChI=1S/C14H17FN2O.C5H10/c15-13-6-11(7-14-12(13)8-16-17-14)18-9-10-4-2-1-3-5-10;1-5-3-2-4-5/h6-8,10H,1-5,9H2,(H,16,17);5H,2-4H2,1H3
InChIKeyJERHLXNIKNXSOC-UHFFFAOYSA-N
MW318.44 g/mol
LogP5.47
Rot. Bonds3

About 6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane

6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane (PubChem CID 145274702) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane
PubChem CID145274702
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane
SMILESCC1CCC1.Fc1cc(OCC2CCCCC2)cc2[nH]ncc12
InChIInChI=1S/C14H17FN2O.C5H10/c15-13-6-11(7-14-12(13)8-16-17-14)18-9-10-4-2-1-3-5-10;1-5-3-2-4-5/h6-8,10H,1-5,9H2,(H,16,17);5H,2-4H2,1H3
InChIKeyJERHLXNIKNXSOC-UHFFFAOYSA-N
XLogP5.47
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.44
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazole
CID 126695991
6-(cyclopentylmethoxy)-4-fluoro-1H-indazol-3-amine
CID 145274776
6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole
CID 145274657
(6S,8R)-6-[4-(cyclopentylmethoxy)-2,6-difluorophenyl]-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinoline
CID 175054290
6-(cyclopropylmethoxy)-1H-indazole
CID 67778171
4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole
CID 145274740
6-(cyclopent-2-en-1-ylmethoxy)-4-fluoro-1H-indazol-3-amine;methylcyclobutane
CID 145274731
[4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid
CID 65203320
[5-(cyclopropylmethoxy)-3-fluoro-2-pyridinyl]methanol
CID 58047152
4-fluoro-1H-indazole-6-carbonitrile
CID 53399325
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
3-(cyclohexylmethoxy)-5-ethoxyaniline
CID 80748419

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane?
The IUPAC name of 6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane (CID 145274702) is 6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane.
What is the SMILES notation for 6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane?
The canonical SMILES for 6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane is CC1CCC1.Fc1cc(OCC2CCCCC2)cc2[nH]ncc12.
What is the InChIKey of 6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane?
The InChIKey is JERHLXNIKNXSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O.C5H10/c15-13-6-11(7-14-12(13)8-16-17-14)18-9-10-4-2-1-3-5-10;1-5-3-2-4-5/h6-8,10H,1-5,9H2,(H,16,17);5H,2-4H2,1H3.
What are the key properties of 6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane?
6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane has a molecular weight of 318.44 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-4-fluoro-1H-indazole;methylcyclobutane is sourced from PubChem (CID 145274702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).