(3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C18H20FN5O — CID 97406702

IUPAC(3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@H](c2cccnc2)CC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C18H20FN5O/c1-23-16(25)15(13-3-2-6-20-10-13)9-18(23)4-7-24(8-5-18)17-21-11-14(19)12-22-17/h2-3,6,10-12,15H,4-5,7-9H2,1H3/t15-/m0/s1
InChIKeyFZCWTZONIDNOSQ-HNNXBMFYSA-N
MW341.39 g/mol
LogP2.00
Rot. Bonds2

About (3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

(3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97406702) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is (3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97406702
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name(3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@H](c2cccnc2)CC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C18H20FN5O/c1-23-16(25)15(13-3-2-6-20-10-13)9-18(23)4-7-24(8-5-18)17-21-11-14(19)12-22-17/h2-3,6,10-12,15H,4-5,7-9H2,1H3/t15-/m0/s1
InChIKeyFZCWTZONIDNOSQ-HNNXBMFYSA-N
XLogP2.00
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97406702) is (3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)[C@H](c2cccnc2)CC12CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of (3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FZCWTZONIDNOSQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-23-16(25)15(13-3-2-6-20-10-13)9-18(23)4-7-24(8-5-18)17-21-11-14(19)12-22-17/h2-3,6,10-12,15H,4-5,7-9H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
(3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 341.39 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97406702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).