[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C24H23FN4O2 — CID 58674751

IUPAC[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C24H23FN4O2/c1-16-14-17-6-2-5-9-21(17)29(16)23(30)19-15-26-24(28-10-12-31-13-11-28)27-22(19)18-7-3-4-8-20(18)25/h2-9,15-16H,10-14H2,1H3
InChIKeyDJWCOXDNMIPWTB-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.71
Rot. Bonds3

About [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 58674751) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID58674751
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C24H23FN4O2/c1-16-14-17-6-2-5-9-21(17)29(16)23(30)19-15-26-24(28-10-12-31-13-11-28)27-22(19)18-7-3-4-8-20(18)25/h2-9,15-16H,10-14H2,1H3
InChIKeyDJWCOXDNMIPWTB-UHFFFAOYSA-N
XLogP3.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 59421280
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone
CID 11547457
4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 59421325
N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 59421141
[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109261707
2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-(2-fluorophenyl)pyrimidine-5-carboxylic acid
CID 159934380
N-[(4-tert-butylphenyl)methyl]-N-cyclopropyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 11620083
(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109309496
4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 159670575
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
4-[4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]morpholine
CID 112886644
(2-amino-3-fluoro-4-pyridinyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 105384137

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 58674751) is [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F.
What is the InChIKey of [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is DJWCOXDNMIPWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-16-14-17-6-2-5-9-21(17)29(16)23(30)19-15-26-24(28-10-12-31-13-11-28)27-22(19)18-7-3-4-8-20(18)25/h2-9,15-16H,10-14H2,1H3.
What are the key properties of [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 418.47 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 58674751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).