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

C19H17N9O — CID 139359092

IUPAC3-[4-[3-methyl-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile
SMILESCC1C(c2cn[nH]c2)OCCN1c1ccnc(-c2cnc3cnc(C#N)cn23)n1
InChIInChI=1S/C19H17N9O/c1-12-18(13-7-24-25-8-13)29-5-4-27(12)16-2-3-21-19(26-16)15-9-23-17-10-22-14(6-20)11-28(15)17/h2-3,7-12,18H,4-5H2,1H3,(H,24,25)
InChIKeyPZCUAMRTYZPFEF-UHFFFAOYSA-N
MW387.41 g/mol
LogP1.75
Rot. Bonds3

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

3-[4-[3-methyl-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile (PubChem CID 139359092) has the molecular formula C19H17N9O and a molecular weight of 387.41 g/mol. Its IUPAC name is 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile.

Molecular Properties

Compound Name3-[4-[3-methyl-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile
PubChem CID139359092
Molecular FormulaC19H17N9O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name3-[4-[3-methyl-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile
SMILESCC1C(c2cn[nH]c2)OCCN1c1ccnc(-c2cnc3cnc(C#N)cn23)n1
InChIInChI=1S/C19H17N9O/c1-12-18(13-7-24-25-8-13)29-5-4-27(12)16-2-3-21-19(26-16)15-9-23-17-10-22-14(6-20)11-28(15)17/h2-3,7-12,18H,4-5H2,1H3,(H,24,25)
InChIKeyPZCUAMRTYZPFEF-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

(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-[2-methyl-6-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile
CID 139359694
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-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine
CID 167201790
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
(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
6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139358791
2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 139343246
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
[(E)-3-amino-2-[4-[2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methylmorpholin-2-yl]prop-2-enylidene]azanium
CID 153330893
(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-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358797

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile?
The IUPAC name of 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile (CID 139359092) is 3-[4-[3-methyl-2-(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-[3-methyl-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile?
The canonical SMILES for 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile is CC1C(c2cn[nH]c2)OCCN1c1ccnc(-c2cnc3cnc(C#N)cn23)n1.
What is the InChIKey of 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile?
The InChIKey is PZCUAMRTYZPFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N9O/c1-12-18(13-7-24-25-8-13)29-5-4-27(12)16-2-3-21-19(26-16)15-9-23-17-10-22-14(6-20)11-28(15)17/h2-3,7-12,18H,4-5H2,1H3,(H,24,25).
What are the key properties of 3-[4-[3-methyl-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile?
3-[4-[3-methyl-2-(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-[3-methyl-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile is sourced from PubChem (CID 139359092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).