(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone

C16H18F2N6O — CID 118742709

IUPAC(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCC(F)(F)C2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C16H18F2N6O/c17-16(18)3-7-23(13(25)12-8-19-11-22-12)9-15(16)2-6-24(10-15)14-20-4-1-5-21-14/h1,4-5,8,11H,2-3,6-7,9-10H2,(H,19,22)
InChIKeyQTHLBOXZUXYLPL-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.58
Rot. Bonds2

About (10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone

(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone (PubChem CID 118742709) has the molecular formula C16H18F2N6O and a molecular weight of 348.36 g/mol. Its IUPAC name is (10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone
PubChem CID118742709
Molecular FormulaC16H18F2N6O
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC Name(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCC(F)(F)C2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C16H18F2N6O/c17-16(18)3-7-23(13(25)12-8-19-11-22-12)9-15(16)2-6-24(10-15)14-20-4-1-5-21-14/h1,4-5,8,11H,2-3,6-7,9-10H2,(H,19,22)
InChIKeyQTHLBOXZUXYLPL-UHFFFAOYSA-N
XLogP1.58
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone?
The IUPAC name of (10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone (CID 118742709) is (10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for (10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone?
The canonical SMILES for (10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone is O=C(c1cnc[nH]1)N1CCC(F)(F)C2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of (10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone?
The InChIKey is QTHLBOXZUXYLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N6O/c17-16(18)3-7-23(13(25)12-8-19-11-22-12)9-15(16)2-6-24(10-15)14-20-4-1-5-21-14/h1,4-5,8,11H,2-3,6-7,9-10H2,(H,19,22).
What are the key properties of (10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone?
(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone has a molecular weight of 348.36 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 118742709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).