N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C26H23ClF2N6O4 — CID 178028393

IUPACN-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCOC[C@H](c1ccnc(NC(=O)[C@@H](NC(=O)c2ccnn2C)c2ccc(F)c(Cl)c2)c1)c1cc(F)c[nH]c1=O
InChIInChI=1S/C26H23ClF2N6O4/c1-35-21(6-8-32-35)25(37)34-23(15-3-4-20(29)19(27)9-15)26(38)33-22-10-14(5-7-30-22)18(13-39-2)17-11-16(28)12-31-24(17)36/h3-12,18,23H,13H2,1-2H3,(H,31,36)(H,34,37)(H,30,33,38)/t18-,23+/m1/s1
InChIKeyUWHUWQZWTZIMJQ-JPYJTQIMSA-N
MW556.96 g/mol
LogP3.32
Rot. Bonds9

About N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 178028393) has the molecular formula C26H23ClF2N6O4 and a molecular weight of 556.96 g/mol. Its IUPAC name is N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID178028393
Molecular FormulaC26H23ClF2N6O4
Molecular Weight556.96 g/mol
Exact Mass556.14
IUPAC NameN-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCOC[C@H](c1ccnc(NC(=O)[C@@H](NC(=O)c2ccnn2C)c2ccc(F)c(Cl)c2)c1)c1cc(F)c[nH]c1=O
InChIInChI=1S/C26H23ClF2N6O4/c1-35-21(6-8-32-35)25(37)34-23(15-3-4-20(29)19(27)9-15)26(38)33-22-10-14(5-7-30-22)18(13-39-2)17-11-16(28)12-31-24(17)36/h3-12,18,23H,13H2,1-2H3,(H,31,36)(H,34,37)(H,30,33,38)/t18-,23+/m1/s1
InChIKeyUWHUWQZWTZIMJQ-JPYJTQIMSA-N
XLogP3.32
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.96
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide
CID 178028496
N-[[4-fluoro-1-[7-fluoro-5-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-1,3-benzoxazol-2-yl]cyclohexyl]methyl]-2-methylpyrazole-3-carboxamide
CID 176766148
2-ethyl-N-[(1S)-1-(3-fluorophenyl)-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide
CID 178028554
N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 178028510
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide
CID 100646270
methyl 2-(2,4-dichlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]acetate
CID 86788263
N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide
CID 171790493
N-[(1S)-1-(4-chloro-3-methylphenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide
CID 178028431
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 178028323
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 171790788
N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 168936236

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 178028393) is N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is COC[C@H](c1ccnc(NC(=O)[C@@H](NC(=O)c2ccnn2C)c2ccc(F)c(Cl)c2)c1)c1cc(F)c[nH]c1=O.
What is the InChIKey of N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is UWHUWQZWTZIMJQ-JPYJTQIMSA-N. The full InChI is InChI=1S/C26H23ClF2N6O4/c1-35-21(6-8-32-35)25(37)34-23(15-3-4-20(29)19(27)9-15)26(38)33-22-10-14(5-7-30-22)18(13-39-2)17-11-16(28)12-31-24(17)36/h3-12,18,23H,13H2,1-2H3,(H,31,36)(H,34,37)(H,30,33,38)/t18-,23+/m1/s1.
What are the key properties of N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 556.96 g/mol, XLogP of 3.32, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 178028393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).