3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole

C18H17FN4S — CID 135545382

IUPAC3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole
SMILESFC1(c2ccc3cc(-c4n[nH]c5ccsc45)[nH]c3c2)CCNCC1
InChIInChI=1S/C18H17FN4S/c19-18(4-6-20-7-5-18)12-2-1-11-9-15(21-14(11)10-12)16-17-13(22-23-16)3-8-24-17/h1-3,8-10,20-21H,4-7H2,(H,22,23)
InChIKeyXQRGMPBDXZACPU-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.32
Rot. Bonds2

About 3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole

3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole (PubChem CID 135545382) has the molecular formula C18H17FN4S and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole.

Molecular Properties

Compound Name3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole
PubChem CID135545382
Molecular FormulaC18H17FN4S
Molecular Weight340.43 g/mol
Exact Mass340.12
IUPAC Name3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole
SMILESFC1(c2ccc3cc(-c4n[nH]c5ccsc45)[nH]c3c2)CCNCC1
InChIInChI=1S/C18H17FN4S/c19-18(4-6-20-7-5-18)12-2-1-11-9-15(21-14(11)10-12)16-17-13(22-23-16)3-8-24-17/h1-3,8-10,20-21H,4-7H2,(H,22,23)
InChIKeyXQRGMPBDXZACPU-UHFFFAOYSA-N
XLogP4.32
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole?
The IUPAC name of 3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole (CID 135545382) is 3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole.
What is the SMILES notation for 3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole?
The canonical SMILES for 3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole is FC1(c2ccc3cc(-c4n[nH]c5ccsc45)[nH]c3c2)CCNCC1.
What is the InChIKey of 3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole?
The InChIKey is XQRGMPBDXZACPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4S/c19-18(4-6-20-7-5-18)12-2-1-11-9-15(21-14(11)10-12)16-17-13(22-23-16)3-8-24-17/h1-3,8-10,20-21H,4-7H2,(H,22,23).
What are the key properties of 3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole?
3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole has a molecular weight of 340.43 g/mol, XLogP of 4.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole is sourced from PubChem (CID 135545382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).