(5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid

C20H23F3N6O3 — CID 155835691

IUPAC(5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1cnc(C(=O)N2CCC3(CCCN3c3ncccn3)CC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N6O.C2HF3O2/c1-14-12-22-15(13-21-14)16(25)23-10-5-18(6-11-23)4-2-9-24(18)17-19-7-3-8-20-17;3-2(4,5)1(6)7/h3,7-8,12-13H,2,4-6,9-11H2,1H3;(H,6,7)
InChIKeySYFOCKZDHCYLIC-UHFFFAOYSA-N
MW452.44 g/mol
LogP2.48
Rot. Bonds2

About (5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid

(5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155835691) has the molecular formula C20H23F3N6O3 and a molecular weight of 452.44 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155835691
Molecular FormulaC20H23F3N6O3
Molecular Weight452.44 g/mol
Exact Mass452.18
IUPAC Name(5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1cnc(C(=O)N2CCC3(CCCN3c3ncccn3)CC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N6O.C2HF3O2/c1-14-12-22-15(13-21-14)16(25)23-10-5-18(6-11-23)4-2-9-24(18)17-19-7-3-8-20-17;3-2(4,5)1(6)7/h3,7-8,12-13H,2,4-6,9-11H2,1H3;(H,6,7)
InChIKeySYFOCKZDHCYLIC-UHFFFAOYSA-N
XLogP2.48
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

US11142526, Example 141
CID 137533034
Pyrazin-2-yl(9-(pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234174
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3234891
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3232961
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354
2-Ethyl-9-(imidazo[1,2-a]pyrimidin-2-ylcarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72873354
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 78312664
5-Methyl-N-{2-[4-(pyrimidin-2-YL)piperazine-1-carbonyl]cyclopentyl}pyrazine-2-carboxamide
CID 91912940
[2-(5-Fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97449628
(9-Methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742580
(3-Methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742589
(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742708

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid (CID 155835691) is (5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid is Cc1cnc(C(=O)N2CCC3(CCCN3c3ncccn3)CC2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of (5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is SYFOCKZDHCYLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O.C2HF3O2/c1-14-12-22-15(13-21-14)16(25)23-10-5-18(6-11-23)4-2-9-24(18)17-19-7-3-8-20-17;3-2(4,5)1(6)7/h3,7-8,12-13H,2,4-6,9-11H2,1H3;(H,6,7).
What are the key properties of (5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
(5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 452.44 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155835691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).