4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane

C18H25FN6 — CID 146665700

IUPAC4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane
SMILESC[C@@H](c1ccc(-n2cc(F)cn2)nc1)N1CCNC2(CCNCC2)C1
InChIInChI=1S/C18H25FN6/c1-14(24-9-8-22-18(13-24)4-6-20-7-5-18)15-2-3-17(21-10-15)25-12-16(19)11-23-25/h2-3,10-12,14,20,22H,4-9,13H2,1H3/t14-/m0/s1
InChIKeyMIOWSGYZVHZTFM-AWEZNQCLSA-N
MW344.44 g/mol
LogP1.49
Rot. Bonds3

About 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane

4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane (PubChem CID 146665700) has the molecular formula C18H25FN6 and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane
PubChem CID146665700
Molecular FormulaC18H25FN6
Molecular Weight344.44 g/mol
Exact Mass344.21
IUPAC Name4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane
SMILESC[C@@H](c1ccc(-n2cc(F)cn2)nc1)N1CCNC2(CCNCC2)C1
InChIInChI=1S/C18H25FN6/c1-14(24-9-8-22-18(13-24)4-6-20-7-5-18)15-2-3-17(21-10-15)25-12-16(19)11-23-25/h2-3,10-12,14,20,22H,4-9,13H2,1H3/t14-/m0/s1
InChIKeyMIOWSGYZVHZTFM-AWEZNQCLSA-N
XLogP1.49
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane?
The IUPAC name of 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane (CID 146665700) is 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane?
The canonical SMILES for 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane is C[C@@H](c1ccc(-n2cc(F)cn2)nc1)N1CCNC2(CCNCC2)C1.
What is the InChIKey of 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane?
The InChIKey is MIOWSGYZVHZTFM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25FN6/c1-14(24-9-8-22-18(13-24)4-6-20-7-5-18)15-2-3-17(21-10-15)25-12-16(19)11-23-25/h2-3,10-12,14,20,22H,4-9,13H2,1H3/t14-/m0/s1.
What are the key properties of 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane?
4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane has a molecular weight of 344.44 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane is sourced from PubChem (CID 146665700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).