4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine

C20H26N8O — CID 155800926

IUPAC4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(N2CCN(c3nccn4nc(C)cc34)CC2)n1
InChIInChI=1S/C20H26N8O/c1-15-14-18(25-9-11-29-12-10-25)23-20(22-15)27-7-5-26(6-8-27)19-17-13-16(2)24-28(17)4-3-21-19/h3-4,13-14H,5-12H2,1-2H3
InChIKeyLAUJEYXKRJOPFS-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.30
Rot. Bonds3

About 4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 155800926) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID155800926
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(N2CCN(c3nccn4nc(C)cc34)CC2)n1
InChIInChI=1S/C20H26N8O/c1-15-14-18(25-9-11-29-12-10-25)23-20(22-15)27-7-5-26(6-8-27)19-17-13-16(2)24-28(17)4-3-21-19/h3-4,13-14H,5-12H2,1-2H3
InChIKeyLAUJEYXKRJOPFS-UHFFFAOYSA-N
XLogP1.30
TPSA74.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Jnj-42396302
CID 51352628
Bay-41-8543
CID 9953906
5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936
6-[1-[(2S)-1-methoxypropan-2-yl]-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 118067807
(R)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11225074
(R)-3-methyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11247946
3-methyl-N-(6-methylpyridin-2-yl)-5-(piperazin-1-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11270869
3-ethyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11554196
N-[1-(2-ethoxyethyl)-3-ethyl-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]pyridin-2-amine
CID 11560313
5-[4-(Aminomethyl)-1-piperidinyl]-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11568346
1-(2-ethoxyethyl)-3-methyl-N-(6-methylpyridin-2-yl)-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11574797
5-(4-aminopiperidin-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11575452

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 155800926) is 4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine is Cc1cc(N2CCOCC2)nc(N2CCN(c3nccn4nc(C)cc34)CC2)n1.
What is the InChIKey of 4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is LAUJEYXKRJOPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O/c1-15-14-18(25-9-11-29-12-10-25)23-20(22-15)27-7-5-26(6-8-27)19-17-13-16(2)24-28(17)4-3-21-19/h3-4,13-14H,5-12H2,1-2H3.
What are the key properties of 4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 394.48 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 155800926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).