5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole

C18H25N3O — CID 18447181

IUPAC5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole
SMILESc1cc2[nH]ncc2cc1OC1CCCN(C2CCCC2)CC1
InChIInChI=1S/C18H25N3O/c1-2-5-15(4-1)21-10-3-6-16(9-11-21)22-17-7-8-18-14(12-17)13-19-20-18/h7-8,12-13,15-16H,1-6,9-11H2,(H,19,20)
InChIKeyBPJIVRHWWDEVLF-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.74
Rot. Bonds3

About 5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole

5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole (PubChem CID 18447181) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole.

Molecular Properties

Compound Name5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole
PubChem CID18447181
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole
SMILESc1cc2[nH]ncc2cc1OC1CCCN(C2CCCC2)CC1
InChIInChI=1S/C18H25N3O/c1-2-5-15(4-1)21-10-3-6-16(9-11-21)22-17-7-8-18-14(12-17)13-19-20-18/h7-8,12-13,15-16H,1-6,9-11H2,(H,19,20)
InChIKeyBPJIVRHWWDEVLF-UHFFFAOYSA-N
XLogP3.74
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol
CID 97056382
5-(1-propylpiperidin-3-yl)oxy-1H-indazole
CID 18447202
5-(azetidin-3-yloxy)-1H-indazole
CID 84661998
3-(1H-indazol-5-yloxy)-N-propan-2-ylcyclohexan-1-amine
CID 22933688
5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride
CID 162336125
5-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride
CID 159168642
3-(1H-indazol-5-yloxy)cyclopentan-1-ol
CID 22933692
N-(1-cyclopentylpiperidin-3-yl)-1H-indazole-5-carboxamide
CID 22933774
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide
CID 67561766
5-(4-methoxyphenoxy)-1H-indazole
CID 22349444
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1H-indazol-5-amine
CID 107490647

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole?
The IUPAC name of 5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole (CID 18447181) is 5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole.
What is the SMILES notation for 5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole?
The canonical SMILES for 5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole is c1cc2[nH]ncc2cc1OC1CCCN(C2CCCC2)CC1.
What is the InChIKey of 5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole?
The InChIKey is BPJIVRHWWDEVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-5-15(4-1)21-10-3-6-16(9-11-21)22-17-7-8-18-14(12-17)13-19-20-18/h7-8,12-13,15-16H,1-6,9-11H2,(H,19,20).
What are the key properties of 5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole?
5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole has a molecular weight of 299.42 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole is sourced from PubChem (CID 18447181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).