(5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane

C17H23FN6 — CID 97450253

IUPAC(5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCn1ccnc1CN1CC[C@@]2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H23FN6/c1-22-8-5-19-15(22)11-23-7-4-17(12-23)3-2-6-24(13-17)16-20-9-14(18)10-21-16/h5,8-10H,2-4,6-7,11-13H2,1H3/t17-/m0/s1
InChIKeyYOCJONCARILCKE-KRWDZBQOSA-N
MW330.41 g/mol
LogP1.84
Rot. Bonds3

About (5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane

(5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 97450253) has the molecular formula C17H23FN6 and a molecular weight of 330.41 g/mol. Its IUPAC name is (5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane
PubChem CID97450253
Molecular FormulaC17H23FN6
Molecular Weight330.41 g/mol
Exact Mass330.20
IUPAC Name(5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCn1ccnc1CN1CC[C@@]2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H23FN6/c1-22-8-5-19-15(22)11-23-7-4-17(12-23)3-2-6-24(13-17)16-20-9-14(18)10-21-16/h5,8-10H,2-4,6-7,11-13H2,1H3/t17-/m0/s1
InChIKeyYOCJONCARILCKE-KRWDZBQOSA-N
XLogP1.84
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane (CID 97450253) is (5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane is Cn1ccnc1CN1CC[C@@]2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of (5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is YOCJONCARILCKE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23FN6/c1-22-8-5-19-15(22)11-23-7-4-17(12-23)3-2-6-24(13-17)16-20-9-14(18)10-21-16/h5,8-10H,2-4,6-7,11-13H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
(5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane has a molecular weight of 330.41 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 97450253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).