2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride

C64H67ClF2N8O12 — CID 158370600

IUPAC2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride
SMILESCC(C)(C(=O)NC(=O)N1CCOCC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21.CC(C)(C(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21.O=C(Cl)N1CCOCC1
InChIInChI=1S/C32H33FN4O6.C27H26FN3O4.C5H8ClNO2/c1-32(2,30(39)35-31(40)37-14-18-42-19-15-37)26-22-4-3-5-24(33)27(22)43-28-23(26)10-11-25(34-28)20-6-8-21(9-7-20)29(38)36-12-16-41-17-13-36;1-27(2,26(29)33)22-18-4-3-5-20(28)23(18)35-24-19(22)10-11-21(30-24)16-6-8-17(9-7-16)25(32)31-12-14-34-15-13-31;6-5(8)7-1-3-9-4-2-7/h3-11,26H,12-19H2,1-2H3,(H,35,39,40);3-11,22H,12-15H2,1-2H3,(H2,29,33);1-4H2/t26-;22-;/m00./s1
InChIKeyGUOGUNCRDQHRSO-OLDKHKQTSA-N
MW1213.73 g/mol
LogP8.98
Rot. Bonds8

About 2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride

2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride (PubChem CID 158370600) has the molecular formula C64H67ClF2N8O12 and a molecular weight of 1213.73 g/mol. Its IUPAC name is 2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride.

Molecular Properties

Compound Name2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride
PubChem CID158370600
Molecular FormulaC64H67ClF2N8O12
Molecular Weight1213.73 g/mol
Exact Mass1212.45
IUPAC Name2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride
SMILESCC(C)(C(=O)NC(=O)N1CCOCC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21.CC(C)(C(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21.O=C(Cl)N1CCOCC1
InChIInChI=1S/C32H33FN4O6.C27H26FN3O4.C5H8ClNO2/c1-32(2,30(39)35-31(40)37-14-18-42-19-15-37)26-22-4-3-5-24(33)27(22)43-28-23(26)10-11-25(34-28)20-6-8-21(9-7-20)29(38)36-12-16-41-17-13-36;1-27(2,26(29)33)22-18-4-3-5-20(28)23(18)35-24-19(22)10-11-21(30-24)16-6-8-17(9-7-16)25(32)31-12-14-34-15-13-31;6-5(8)7-1-3-9-4-2-7/h3-11,26H,12-19H2,1-2H3,(H,35,39,40);3-11,22H,12-15H2,1-2H3,(H2,29,33);1-4H2/t26-;22-;/m00./s1
InChIKeyGUOGUNCRDQHRSO-OLDKHKQTSA-N
XLogP8.98
TPSA234.59 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001213.73
LogP ≤ 58.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride with MolForge

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Related Compounds

2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(2-methylpropanoyl)propanamide
CID 118707970
N-(dimethylcarbamoyl)-2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide
CID 118707973
2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide
CID 123142426
2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide
CID 123239231
2-[9-fluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(methylcarbamoyl)propanamide
CID 123741727
2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid
CID 67436380
N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide
CID 159636072
2-[(5S)-2-[4-(4,4-difluoropiperidine-1-carbonyl)-3-fluorophenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide;methane
CID 24772865
[4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 151400903
2-methyl-2-[(5R)-2-pyrrolidin-1-yl-5H-chromeno[2,3-b]pyridin-5-yl]propanamide
CID 71129534
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide
CID 159922881

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride?
The IUPAC name of 2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride (CID 158370600) is 2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride.
What is the SMILES notation for 2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride?
The canonical SMILES for 2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride is CC(C)(C(=O)NC(=O)N1CCOCC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21.CC(C)(C(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21.O=C(Cl)N1CCOCC1.
What is the InChIKey of 2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride?
The InChIKey is GUOGUNCRDQHRSO-OLDKHKQTSA-N. The full InChI is InChI=1S/C32H33FN4O6.C27H26FN3O4.C5H8ClNO2/c1-32(2,30(39)35-31(40)37-14-18-42-19-15-37)26-22-4-3-5-24(33)27(22)43-28-23(26)10-11-25(34-28)20-6-8-21(9-7-20)29(38)36-12-16-41-17-13-36;1-27(2,26(29)33)22-18-4-3-5-20(28)23(18)35-24-19(22)10-11-21(30-24)16-6-8-17(9-7-16)25(32)31-12-14-34-15-13-31;6-5(8)7-1-3-9-4-2-7/h3-11,26H,12-19H2,1-2H3,(H,35,39,40);3-11,22H,12-15H2,1-2H3,(H2,29,33);1-4H2/t26-;22-;/m00./s1.
What are the key properties of 2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride?
2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride has a molecular weight of 1213.73 g/mol, XLogP of 8.98, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride is sourced from PubChem (CID 158370600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).