(1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone

C18H18N4O2 — CID 124998929

IUPAC(1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
SMILESCn1cc(C(=O)N2CCO[C@H](c3cnccn3)C2)c2ccccc21
InChIInChI=1S/C18H18N4O2/c1-21-11-14(13-4-2-3-5-16(13)21)18(23)22-8-9-24-17(12-22)15-10-19-6-7-20-15/h2-7,10-11,17H,8-9,12H2,1H3/t17-/m0/s1
InChIKeyRLILSDUFRODMGA-KRWDZBQOSA-N
MW322.37 g/mol
LogP2.18
Rot. Bonds2

About (1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone

(1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone (PubChem CID 124998929) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
PubChem CID124998929
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
SMILESCn1cc(C(=O)N2CCO[C@H](c3cnccn3)C2)c2ccccc21
InChIInChI=1S/C18H18N4O2/c1-21-11-14(13-4-2-3-5-16(13)21)18(23)22-8-9-24-17(12-22)15-10-19-6-7-20-15/h2-7,10-11,17H,8-9,12H2,1H3/t17-/m0/s1
InChIKeyRLILSDUFRODMGA-KRWDZBQOSA-N
XLogP2.18
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115890
(2-methoxyphenyl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246249
(2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124986914
(4-methoxyphenyl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124969089
N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110269854
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
(1-propylpyrazol-3-yl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124955626
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124973919
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124973918
(2-pyrazin-2-ylmorpholin-4-yl)-quinolin-6-ylmethanone
CID 110103222
[(2R)-2-pyrazin-2-ylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125022410
3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124947678

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
The IUPAC name of (1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone (CID 124998929) is (1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone.
What is the SMILES notation for (1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
The canonical SMILES for (1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone is Cn1cc(C(=O)N2CCO[C@H](c3cnccn3)C2)c2ccccc21.
What is the InChIKey of (1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
The InChIKey is RLILSDUFRODMGA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21-11-14(13-4-2-3-5-16(13)21)18(23)22-8-9-24-17(12-22)15-10-19-6-7-20-15/h2-7,10-11,17H,8-9,12H2,1H3/t17-/m0/s1.
What are the key properties of (1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
(1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone has a molecular weight of 322.37 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone is sourced from PubChem (CID 124998929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).