6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole

C13H16FN3 — CID 135262520

IUPAC6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole
SMILESCc1cc2cn[nH]c2cc1[C@H]1CCNC[C@H]1F
InChIInChI=1S/C13H16FN3/c1-8-4-9-6-16-17-13(9)5-11(8)10-2-3-15-7-12(10)14/h4-6,10,12,15H,2-3,7H2,1H3,(H,16,17)/t10-,12-/m1/s1
InChIKeyZVROSSFBKKSLEA-ZYHUDNBSSA-N
MW233.29 g/mol
LogP2.29
Rot. Bonds1

About 6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole

6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole (PubChem CID 135262520) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole.

Molecular Properties

Compound Name6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole
PubChem CID135262520
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole
SMILESCc1cc2cn[nH]c2cc1[C@H]1CCNC[C@H]1F
InChIInChI=1S/C13H16FN3/c1-8-4-9-6-16-17-13(9)5-11(8)10-2-3-15-7-12(10)14/h4-6,10,12,15H,2-3,7H2,1H3,(H,16,17)/t10-,12-/m1/s1
InChIKeyZVROSSFBKKSLEA-ZYHUDNBSSA-N
XLogP2.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole?
The IUPAC name of 6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole (CID 135262520) is 6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole.
What is the SMILES notation for 6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole?
The canonical SMILES for 6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole is Cc1cc2cn[nH]c2cc1[C@H]1CCNC[C@H]1F.
What is the InChIKey of 6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole?
The InChIKey is ZVROSSFBKKSLEA-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H16FN3/c1-8-4-9-6-16-17-13(9)5-11(8)10-2-3-15-7-12(10)14/h4-6,10,12,15H,2-3,7H2,1H3,(H,16,17)/t10-,12-/m1/s1.
What are the key properties of 6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole?
6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole has a molecular weight of 233.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole is sourced from PubChem (CID 135262520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).