4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine

C16H22F2N4O — CID 126695889

IUPAC4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine
SMILESCC(C)N1CC[C@H](COc2cc(F)c3c(N)n[nH]c3c2)[C@@H](F)C1
InChIInChI=1S/C16H22F2N4O/c1-9(2)22-4-3-10(13(18)7-22)8-23-11-5-12(17)15-14(6-11)20-21-16(15)19/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H3,19,20,21)/t10-,13+/m1/s1
InChIKeyUXDWIXXSWXSWPM-MFKMUULPSA-N
MW324.38 g/mol
LogP2.73
Rot. Bonds4

About 4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine

4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine (PubChem CID 126695889) has the molecular formula C16H22F2N4O and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine.

Molecular Properties

Compound Name4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine
PubChem CID126695889
Molecular FormulaC16H22F2N4O
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine
SMILESCC(C)N1CC[C@H](COc2cc(F)c3c(N)n[nH]c3c2)[C@@H](F)C1
InChIInChI=1S/C16H22F2N4O/c1-9(2)22-4-3-10(13(18)7-22)8-23-11-5-12(17)15-14(6-11)20-21-16(15)19/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H3,19,20,21)/t10-,13+/m1/s1
InChIKeyUXDWIXXSWXSWPM-MFKMUULPSA-N
XLogP2.73
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine?
The IUPAC name of 4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine (CID 126695889) is 4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine.
What is the SMILES notation for 4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine?
The canonical SMILES for 4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine is CC(C)N1CC[C@H](COc2cc(F)c3c(N)n[nH]c3c2)[C@@H](F)C1.
What is the InChIKey of 4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine?
The InChIKey is UXDWIXXSWXSWPM-MFKMUULPSA-N. The full InChI is InChI=1S/C16H22F2N4O/c1-9(2)22-4-3-10(13(18)7-22)8-23-11-5-12(17)15-14(6-11)20-21-16(15)19/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H3,19,20,21)/t10-,13+/m1/s1.
What are the key properties of 4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine?
4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine has a molecular weight of 324.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methoxy]-1H-indazol-3-amine is sourced from PubChem (CID 126695889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).