(3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone

C19H21FN4O — CID 97385423

IUPAC(3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H21FN4O/c20-16-4-1-3-15(13-16)17(25)24-12-7-19(14-24)5-10-23(11-6-19)18-21-8-2-9-22-18/h1-4,8-9,13H,5-7,10-12,14H2
InChIKeyHWSUQWZGXXLRSD-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.75
Rot. Bonds2

About (3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone

(3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone (PubChem CID 97385423) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is (3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
PubChem CID97385423
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name(3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H21FN4O/c20-16-4-1-3-15(13-16)17(25)24-12-7-19(14-24)5-10-23(11-6-19)18-21-8-2-9-22-18/h1-4,8-9,13H,5-7,10-12,14H2
InChIKeyHWSUQWZGXXLRSD-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
CID 97449449
(3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3234335
(5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234584
2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone
CID 131653455
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234054
2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide
CID 97393813
(3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 22617927
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
morpholin-4-yl-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 97449674
2,8-diazaspiro[5.5]undecan-2-yl-(3-fluorophenyl)methanone;hydrochloride
CID 155841850

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone (CID 97385423) is (3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone is O=C(c1cccc(F)c1)N1CCC2(CCN(c3ncccn3)CC2)C1.
What is the InChIKey of (3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The InChIKey is HWSUQWZGXXLRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-16-4-1-3-15(13-16)17(25)24-12-7-19(14-24)5-10-23(11-6-19)18-21-8-2-9-22-18/h1-4,8-9,13H,5-7,10-12,14H2.
What are the key properties of (3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
(3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone has a molecular weight of 340.40 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 97385423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).