(7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone

C18H17FN4O2 — CID 110115830

IUPAC(7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCc1nccc(C2CN(C(=O)c3cc4cccc(F)c4[nH]3)CCO2)n1
InChIInChI=1S/C18H17FN4O2/c1-11-20-6-5-14(21-11)16-10-23(7-8-25-16)18(24)15-9-12-3-2-4-13(19)17(12)22-15/h2-6,9,16,22H,7-8,10H2,1H3
InChIKeyCHKBWHLNCMVATL-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.62
Rot. Bonds2

About (7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone

(7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone (PubChem CID 110115830) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is (7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
PubChem CID110115830
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name(7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCc1nccc(C2CN(C(=O)c3cc4cccc(F)c4[nH]3)CCO2)n1
InChIInChI=1S/C18H17FN4O2/c1-11-20-6-5-14(21-11)16-10-23(7-8-25-16)18(24)15-9-12-3-2-4-13(19)17(12)22-15/h2-6,9,16,22H,7-8,10H2,1H3
InChIKeyCHKBWHLNCMVATL-UHFFFAOYSA-N
XLogP2.62
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
(3-methyl-2-pyridinyl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956752
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95845102
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124966222
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125009284
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110115860
1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125018775
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124977291
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone
CID 125016179
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 125022866

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone (CID 110115830) is (7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone is Cc1nccc(C2CN(C(=O)c3cc4cccc(F)c4[nH]3)CCO2)n1.
What is the InChIKey of (7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The InChIKey is CHKBWHLNCMVATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11-20-6-5-14(21-11)16-10-23(7-8-25-16)18(24)15-9-12-3-2-4-13(19)17(12)22-15/h2-6,9,16,22H,7-8,10H2,1H3.
What are the key properties of (7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
(7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone has a molecular weight of 340.36 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 110115830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).