(3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid

C25H25FN4O5 — CID 102594250

IUPAC(3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C25H25FN4O5/c1-34-21-7-6-19(25(33)29-20(15-23(31)32)17-4-2-3-5-18(17)26)28-24(21)16-8-9-27-22(14-16)30-10-12-35-13-11-30/h2-9,14,20H,10-13,15H2,1H3,(H,29,33)(H,31,32)/t20-/m0/s1
InChIKeyUTUJLEWRIPQVBW-FQEVSTJZSA-N
MW480.50 g/mol
LogP3.07
Rot. Bonds8

About (3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid

(3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 102594250) has the molecular formula C25H25FN4O5 and a molecular weight of 480.50 g/mol. Its IUPAC name is (3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid
PubChem CID102594250
Molecular FormulaC25H25FN4O5
Molecular Weight480.50 g/mol
Exact Mass480.18
IUPAC Name(3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C25H25FN4O5/c1-34-21-7-6-19(25(33)29-20(15-23(31)32)17-4-2-3-5-18(17)26)28-24(21)16-8-9-27-22(14-16)30-10-12-35-13-11-30/h2-9,14,20H,10-13,15H2,1H3,(H,29,33)(H,31,32)/t20-/m0/s1
InChIKeyUTUJLEWRIPQVBW-FQEVSTJZSA-N
XLogP3.07
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
CID 44521025
2-[(5R)-4-(2-{3-[(6-methylpyridin-3-yl)oxy]phenyl}acetyl)-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
CID 72944991
5-[(2S)-1-[(2R)-4-isoquinolin-1-yl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-4-methoxy-N-methylpyridine-2-carboxamide
CID 11612373
N-[6-[(2R,5R)-5-[(4-cyano-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-5-phenyl-2-pyridinyl]acetamide
CID 137650367
(S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-oxo-3-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-imidazolidin-1-yl}-propionic acid
CID 11733125
(2-aminopyridin-3-yl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanone
CID 24994728
N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 57406788
N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]pyridine-2-carboxamide
CID 57407347
(2-aminopyridin-3-yl)-[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyridin-2-yl]methanone
CID 57690531
6-[[4-[[3-[[3-[[2-[3-Carboxypropanoyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-6-piperidin-1-ylpyridine-2-carbonyl]amino]phenoxy]methyl]pyridine-3-carboxylic acid
CID 140312469
4-methoxy-N-[6-methyl-5-(2-morpholin-4-ylpyridin-4-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 86297276
6-(5-(difluoromethoxy)pyridin-2-yl)-N-(1-(4-fluorophenyl)ethyl)-1-(2-morpholinoethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 166831158

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid (CID 102594250) is (3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid is COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of (3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is UTUJLEWRIPQVBW-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H25FN4O5/c1-34-21-7-6-19(25(33)29-20(15-23(31)32)17-4-2-3-5-18(17)26)28-24(21)16-8-9-27-22(14-16)30-10-12-35-13-11-30/h2-9,14,20H,10-13,15H2,1H3,(H,29,33)(H,31,32)/t20-/m0/s1.
What are the key properties of (3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid?
(3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 480.50 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 102594250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).