6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine

C14H18BrN7O — CID 163821583

IUPAC6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine
SMILES[H]/N=C1\C(Br)=C([C@H]2CNCCO2)NC2C(c3cnn(C)c3)C=NN12
InChIInChI=1S/C14H18BrN7O/c1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10/h4-5,7,9-10,14,16-17,20H,2-3,6H2,1H3/b16-13+/t9?,10-,14?/m1/s1
InChIKeyGRGWSYPZPIEDKR-BBCJKFIESA-N
MW380.25 g/mol
LogP0.31
Rot. Bonds2

About 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine

6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine (PubChem CID 163821583) has the molecular formula C14H18BrN7O and a molecular weight of 380.25 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine
PubChem CID163821583
Molecular FormulaC14H18BrN7O
Molecular Weight380.25 g/mol
Exact Mass379.08
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine
SMILES[H]/N=C1\C(Br)=C([C@H]2CNCCO2)NC2C(c3cnn(C)c3)C=NN12
InChIInChI=1S/C14H18BrN7O/c1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10/h4-5,7,9-10,14,16-17,20H,2-3,6H2,1H3/b16-13+/t9?,10-,14?/m1/s1
InChIKeyGRGWSYPZPIEDKR-BBCJKFIESA-N
XLogP0.31
TPSA90.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine with MolForge

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Related Compounds

ethane;2-(1-methylpyrazol-4-yl)morpholine
CID 177151428
(2S)-2-(1-methylpyrazol-4-yl)-1,4-oxazepane
CID 96749778
(2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
CID 177322255
2-(1-methylpyrrol-3-yl)morpholine
CID 82280335
1-methyl-4-[(2R)-oxiran-2-yl]pyrazole
CID 83129463
4-(4-bromooxan-2-yl)-1-methylpyrazole
CID 157045046
1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc
CID 175423352
2-(1,4-dimethylpyrazol-3-yl)morpholine
CID 131585478
(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 94552518
2-(6-bromo-3-pyridinyl)morpholine;hydrochloride
CID 170910722
2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine
CID 117414129
(2R)-4-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 176675688

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine?
The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine (CID 163821583) is 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine.
What is the SMILES notation for 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine?
The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine is [H]/N=C1\C(Br)=C([C@H]2CNCCO2)NC2C(c3cnn(C)c3)C=NN12.
What is the InChIKey of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine?
The InChIKey is GRGWSYPZPIEDKR-BBCJKFIESA-N. The full InChI is InChI=1S/C14H18BrN7O/c1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10/h4-5,7,9-10,14,16-17,20H,2-3,6H2,1H3/b16-13+/t9?,10-,14?/m1/s1.
What are the key properties of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine?
6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine has a molecular weight of 380.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine is sourced from PubChem (CID 163821583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).