2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane

C19H24FN5 — CID 97408807

IUPAC2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESFc1cnccc1CN1CCCC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H24FN5/c20-17-13-21-9-3-16(17)14-24-10-1-4-19(15-24)5-11-25(12-6-19)18-22-7-2-8-23-18/h2-3,7-9,13H,1,4-6,10-12,14-15H2
InChIKeyFILXIBSFTRUZHX-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.89
Rot. Bonds3

About 2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane

2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 97408807) has the molecular formula C19H24FN5 and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID97408807
Molecular FormulaC19H24FN5
Molecular Weight341.43 g/mol
Exact Mass341.20
IUPAC Name2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESFc1cnccc1CN1CCCC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H24FN5/c20-17-13-21-9-3-16(17)14-24-10-1-4-19(15-24)5-11-25(12-6-19)18-22-7-2-8-23-18/h2-3,7-9,13H,1,4-6,10-12,14-15H2
InChIKeyFILXIBSFTRUZHX-UHFFFAOYSA-N
XLogP2.89
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (CID 97408807) is 2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is Fc1cnccc1CN1CCCC2(CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is FILXIBSFTRUZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5/c20-17-13-21-9-3-16(17)14-24-10-1-4-19(15-24)5-11-25(12-6-19)18-22-7-2-8-23-18/h2-3,7-9,13H,1,4-6,10-12,14-15H2.
What are the key properties of 2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 341.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97408807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).