3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile

C19H17N9O — CID 139359694

IUPAC3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C#N)cn34)n2)CC(c2cn[nH]c2)O1
InChIInChI=1S/C19H17N9O/c1-12-9-27(11-16(29-12)13-5-24-25-6-13)17-2-3-21-19(26-17)15-7-23-18-8-22-14(4-20)10-28(15)18/h2-3,5-8,10,12,16H,9,11H2,1H3,(H,24,25)
InChIKeyAUQLGTSTVTVRSS-UHFFFAOYSA-N
MW387.41 g/mol
LogP1.75
Rot. Bonds3

About 3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile

3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile (PubChem CID 139359694) has the molecular formula C19H17N9O and a molecular weight of 387.41 g/mol. Its IUPAC name is 3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile.

Molecular Properties

Compound Name3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile
PubChem CID139359694
Molecular FormulaC19H17N9O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C#N)cn34)n2)CC(c2cn[nH]c2)O1
InChIInChI=1S/C19H17N9O/c1-12-9-27(11-16(29-12)13-5-24-25-6-13)17-2-3-21-19(26-17)15-7-23-18-8-22-14(4-20)10-28(15)18/h2-3,5-8,10,12,16H,9,11H2,1H3,(H,24,25)
InChIKeyAUQLGTSTVTVRSS-UHFFFAOYSA-N
XLogP1.75
TPSA120.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 152617043
(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
CID 139344478
3-[4-[3-methyl-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile
CID 139359092
[3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine
CID 167201790
(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine
CID 139344691
(2S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
CID 139344880
(2R,6S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
CID 139344284
6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139358791
(2S,3R)-4-[2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(1H-pyrazol-4-yl)morpholine
CID 175064738
3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine
CID 157434085
6-bromo-3-[4-[2,4-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139359577
3-[4-[2-methyl-5-propan-2-yl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343726

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile?
The IUPAC name of 3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile (CID 139359694) is 3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile.
What is the SMILES notation for 3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile?
The canonical SMILES for 3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile is CC1CN(c2ccnc(-c3cnc4cnc(C#N)cn34)n2)CC(c2cn[nH]c2)O1.
What is the InChIKey of 3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile?
The InChIKey is AUQLGTSTVTVRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N9O/c1-12-9-27(11-16(29-12)13-5-24-25-6-13)17-2-3-21-19(26-17)15-7-23-18-8-22-14(4-20)10-28(15)18/h2-3,5-8,10,12,16H,9,11H2,1H3,(H,24,25).
What are the key properties of 3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile?
3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile has a molecular weight of 387.41 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile is sourced from PubChem (CID 139359694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).