[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone

C18H20N4O2 — CID 97251879

IUPAC[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
SMILESCc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H20N4O2/c1-11-17(12(2)21-20-11)16-10-24-8-7-22(16)18(23)15-9-13-5-3-4-6-14(13)19-15/h3-6,9,16,19H,7-8,10H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyOGUIARVRXDAAMR-INIZCTEOSA-N
MW324.38 g/mol
LogP2.72
Rot. Bonds2

About [(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone

[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone (PubChem CID 97251879) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is [(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
PubChem CID97251879
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
SMILESCc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H20N4O2/c1-11-17(12(2)21-20-11)16-10-24-8-7-22(16)18(23)15-9-13-5-3-4-6-14(13)19-15/h3-6,9,16,19H,7-8,10H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyOGUIARVRXDAAMR-INIZCTEOSA-N
XLogP2.72
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
CID 97251880
1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471254
1H-indol-2-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124988103
[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 97330778
(4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
CID 97330769
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone
CID 137247350
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-methylphenyl)ethanone
CID 75470410
methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate
CID 115670212
(5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
CID 167791061
[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 97330753
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 75470373
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 75470386

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone (CID 97251879) is [(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone is Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of [(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone?
The InChIKey is OGUIARVRXDAAMR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-17(12(2)21-20-11)16-10-24-8-7-22(16)18(23)15-9-13-5-3-4-6-14(13)19-15/h3-6,9,16,19H,7-8,10H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of [(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone?
[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone has a molecular weight of 324.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 97251879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).