9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C19H18F3N7O2 — CID 139358702

IUPAC9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCN1CC2(CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)OCC1=O
InChIInChI=1S/C19H18F3N7O2/c1-27-10-18(31-9-16(27)30)3-5-28(11-18)14-2-4-23-17(26-14)12-6-25-15-7-24-13(8-29(12)15)19(20,21)22/h2,4,6-8H,3,5,9-11H2,1H3
InChIKeyBDSZXVHMMNMRFV-UHFFFAOYSA-N
MW433.39 g/mol
LogP1.64
Rot. Bonds2

About 9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 139358702) has the molecular formula C19H18F3N7O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID139358702
Molecular FormulaC19H18F3N7O2
Molecular Weight433.39 g/mol
Exact Mass433.15
IUPAC Name9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCN1CC2(CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)OCC1=O
InChIInChI=1S/C19H18F3N7O2/c1-27-10-18(31-9-16(27)30)3-5-28(11-18)14-2-4-23-17(26-14)12-6-25-15-7-24-13(8-29(12)15)19(20,21)22/h2,4,6-8H,3,5,9-11H2,1H3
InChIKeyBDSZXVHMMNMRFV-UHFFFAOYSA-N
XLogP1.64
TPSA88.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one 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

1-[4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139357652
1-[4-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139357653
4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 139357704
1-[4-[2-[6-(1,1-Difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139357719
(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 139357809
(2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 139357812
(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 139357818
7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 139357998
4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 139358002
2-[4-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine
CID 139358058
4-[4-Methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 139358080
4-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
CID 139358101

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 139358702) is 9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is CN1CC2(CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)OCC1=O.
What is the InChIKey of 9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is BDSZXVHMMNMRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O2/c1-27-10-18(31-9-16(27)30)3-5-28(11-18)14-2-4-23-17(26-14)12-6-25-15-7-24-13(8-29(12)15)19(20,21)22/h2,4,6-8H,3,5,9-11H2,1H3.
What are the key properties of 9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 433.39 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 139358702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).