N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide

C21H28FN5O3 — CID 55785751

IUPACN-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C21H28FN5O3/c1-14-17(15(2)26(3)25-14)13-21(29)23-16-4-5-18(22)19(12-16)24-20(28)6-7-27-8-10-30-11-9-27/h4-5,12H,6-11,13H2,1-3H3,(H,23,29)(H,24,28)
InChIKeyWKOZZRJRFLWHFG-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.02
Rot. Bonds7

About N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide

N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide (PubChem CID 55785751) has the molecular formula C21H28FN5O3 and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide
PubChem CID55785751
Molecular FormulaC21H28FN5O3
Molecular Weight417.49 g/mol
Exact Mass417.22
IUPAC NameN-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C21H28FN5O3/c1-14-17(15(2)26(3)25-14)13-21(29)23-16-4-5-18(22)19(12-16)24-20(28)6-7-27-8-10-30-11-9-27/h4-5,12H,6-11,13H2,1-3H3,(H,23,29)(H,24,28)
InChIKeyWKOZZRJRFLWHFG-UHFFFAOYSA-N
XLogP2.02
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55784620
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
CID 119849290
2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
CID 60530456
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119849257
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
CID 55964556
1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 60554945
7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide
CID 55784588
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55784520
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60554946
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide
CID 55731977

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide (CID 55785751) is N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide is Cc1nn(C)c(C)c1CC(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1.
What is the InChIKey of N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide?
The InChIKey is WKOZZRJRFLWHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5O3/c1-14-17(15(2)26(3)25-14)13-21(29)23-16-4-5-18(22)19(12-16)24-20(28)6-7-27-8-10-30-11-9-27/h4-5,12H,6-11,13H2,1-3H3,(H,23,29)(H,24,28).
What are the key properties of N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide?
N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 417.49 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 55785751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).