4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol

C16H23N3O2 — CID 164634190

IUPAC4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol
SMILESCCn1ncc2ccc(N[C@@H](C)C3(O)CCOCC3)cc21
InChIInChI=1S/C16H23N3O2/c1-3-19-15-10-14(5-4-13(15)11-17-19)18-12(2)16(20)6-8-21-9-7-16/h4-5,10-12,18,20H,3,6-9H2,1-2H3/t12-/m0/s1
InChIKeyMNKWSARWFDCIJA-LBPRGKRZSA-N
MW289.38 g/mol
LogP2.40
Rot. Bonds4

About 4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol

4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol (PubChem CID 164634190) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol
PubChem CID164634190
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol
SMILESCCn1ncc2ccc(N[C@@H](C)C3(O)CCOCC3)cc21
InChIInChI=1S/C16H23N3O2/c1-3-19-15-10-14(5-4-13(15)11-17-19)18-12(2)16(20)6-8-21-9-7-16/h4-5,10-12,18,20H,3,6-9H2,1-2H3/t12-/m0/s1
InChIKeyMNKWSARWFDCIJA-LBPRGKRZSA-N
XLogP2.40
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol?
The IUPAC name of 4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol (CID 164634190) is 4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol.
What is the SMILES notation for 4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol?
The canonical SMILES for 4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol is CCn1ncc2ccc(N[C@@H](C)C3(O)CCOCC3)cc21.
What is the InChIKey of 4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol?
The InChIKey is MNKWSARWFDCIJA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-19-15-10-14(5-4-13(15)11-17-19)18-12(2)16(20)6-8-21-9-7-16/h4-5,10-12,18,20H,3,6-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol?
4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol has a molecular weight of 289.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[(1-ethylindazol-6-yl)amino]ethyl]oxan-4-ol is sourced from PubChem (CID 164634190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).