3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one

C17H21FN6O — CID 146635802

IUPAC3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCC(c1ccc(-n2cc(F)cn2)nc1)N1CC2(CCNCC2)NC1=O
InChIInChI=1S/C17H21FN6O/c1-12(23-11-17(22-16(23)25)4-6-19-7-5-17)13-2-3-15(20-8-13)24-10-14(18)9-21-24/h2-3,8-10,12,19H,4-7,11H2,1H3,(H,22,25)
InChIKeyNKVQFIJHYZSSKL-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.61
Rot. Bonds3

About 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one

3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 146635802) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID146635802
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCC(c1ccc(-n2cc(F)cn2)nc1)N1CC2(CCNCC2)NC1=O
InChIInChI=1S/C17H21FN6O/c1-12(23-11-17(22-16(23)25)4-6-19-7-5-17)13-2-3-15(20-8-13)24-10-14(18)9-21-24/h2-3,8-10,12,19H,4-7,11H2,1H3,(H,22,25)
InChIKeyNKVQFIJHYZSSKL-UHFFFAOYSA-N
XLogP1.61
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one (CID 146635802) is 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one is CC(c1ccc(-n2cc(F)cn2)nc1)N1CC2(CCNCC2)NC1=O.
What is the InChIKey of 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is NKVQFIJHYZSSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c1-12(23-11-17(22-16(23)25)4-6-19-7-5-17)13-2-3-15(20-8-13)24-10-14(18)9-21-24/h2-3,8-10,12,19H,4-7,11H2,1H3,(H,22,25).
What are the key properties of 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 344.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 146635802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).