N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide

C102H109F2N17O12 — CID 161211237

IUPACN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOC1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4cn[nH]c4)cc3)c2)CCCC1.Cc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1cccc(C(=O)NC2CCN(C)CC2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1.O=C(NCc1cccc(F)c1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C26H23FN4O3.C26H31N5O2.C26H30N4O4.C24H25FN4O3/c27-23-6-1-3-17(11-23)13-28-25(33)21-5-2-4-20(12-21)24(16-32)31-26(34)19-9-7-18(8-10-19)22-14-29-30-15-22;1-17-13-20(22-15-27-28-16-22)7-8-24(17)26(33)29-18(2)19-5-4-6-21(14-19)25(32)30-23-9-11-31(3)12-10-23;1-34-26(11-2-3-12-26)17-27-24(32)21-6-4-5-20(13-21)23(16-31)30-25(33)19-9-7-18(8-10-19)22-14-28-29-15-22;25-21-11-17(8-9-20(21)18-12-26-27-13-18)24(32)29-22(14-30)15-4-3-5-16(10-15)23(31)28-19-6-1-2-7-19/h1-12,14-15,24,32H,13,16H2,(H,28,33)(H,29,30)(H,31,34);4-8,13-16,18,23H,9-12H2,1-3H3,(H,27,28)(H,29,33)(H,30,32);4-10,13-15,23,31H,2-3,11-12,16-17H2,1H3,(H,27,32)(H,28,29)(H,30,33);3-5,8-13,19,22,30H,1-2,6-7,14H2,(H,26,27)(H,28,31)(H,29,32)/t24-;18-;23-;22-/m1111/s1
InChIKeyUWGKBKWKKOAQDF-BDCBTPSESA-N
MW1803.10 g/mol
LogP13.89
Rot. Bonds30

About N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide

N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 161211237) has the molecular formula C102H109F2N17O12 and a molecular weight of 1803.10 g/mol. Its IUPAC name is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID161211237
Molecular FormulaC102H109F2N17O12
Molecular Weight1803.10 g/mol
Exact Mass1801.84
IUPAC NameN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOC1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4cn[nH]c4)cc3)c2)CCCC1.Cc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1cccc(C(=O)NC2CCN(C)CC2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1.O=C(NCc1cccc(F)c1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C26H23FN4O3.C26H31N5O2.C26H30N4O4.C24H25FN4O3/c27-23-6-1-3-17(11-23)13-28-25(33)21-5-2-4-20(12-21)24(16-32)31-26(34)19-9-7-18(8-10-19)22-14-29-30-15-22;1-17-13-20(22-15-27-28-16-22)7-8-24(17)26(33)29-18(2)19-5-4-6-21(14-19)25(32)30-23-9-11-31(3)12-10-23;1-34-26(11-2-3-12-26)17-27-24(32)21-6-4-5-20(13-21)23(16-31)30-25(33)19-9-7-18(8-10-19)22-14-28-29-15-22;25-21-11-17(8-9-20(21)18-12-26-27-13-18)24(32)29-22(14-30)15-4-3-5-16(10-15)23(31)28-19-6-1-2-7-19/h1-12,14-15,24,32H,13,16H2,(H,28,33)(H,29,30)(H,31,34);4-8,13-16,18,23H,9-12H2,1-3H3,(H,27,28)(H,29,33)(H,30,32);4-10,13-15,23,31H,2-3,11-12,16-17H2,1H3,(H,27,32)(H,28,29)(H,30,33);3-5,8-13,19,22,30H,1-2,6-7,14H2,(H,26,27)(H,28,31)(H,29,32)/t24-;18-;23-;22-/m1111/s1
InChIKeyUWGKBKWKKOAQDF-BDCBTPSESA-N
XLogP13.89
TPSA420.68 Ų
H-Bond Donors15
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001803.10
LogP ≤ 513.89
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1017

Analyze N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide
CID 160804010
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 160924471
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 161432274
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 162052425

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide (CID 161211237) is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide is COC1(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4cn[nH]c4)cc3)c2)CCCC1.Cc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1cccc(C(=O)NC2CCN(C)CC2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1.O=C(NCc1cccc(F)c1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1.
What is the InChIKey of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is UWGKBKWKKOAQDF-BDCBTPSESA-N. The full InChI is InChI=1S/C26H23FN4O3.C26H31N5O2.C26H30N4O4.C24H25FN4O3/c27-23-6-1-3-17(11-23)13-28-25(33)21-5-2-4-20(12-21)24(16-32)31-26(34)19-9-7-18(8-10-19)22-14-29-30-15-22;1-17-13-20(22-15-27-28-16-22)7-8-24(17)26(33)29-18(2)19-5-4-6-21(14-19)25(32)30-23-9-11-31(3)12-10-23;1-34-26(11-2-3-12-26)17-27-24(32)21-6-4-5-20(13-21)23(16-31)30-25(33)19-9-7-18(8-10-19)22-14-28-29-15-22;25-21-11-17(8-9-20(21)18-12-26-27-13-18)24(32)29-22(14-30)15-4-3-5-16(10-15)23(31)28-19-6-1-2-7-19/h1-12,14-15,24,32H,13,16H2,(H,28,33)(H,29,30)(H,31,34);4-8,13-16,18,23H,9-12H2,1-3H3,(H,27,28)(H,29,33)(H,30,32);4-10,13-15,23,31H,2-3,11-12,16-17H2,1H3,(H,27,32)(H,28,29)(H,30,33);3-5,8-13,19,22,30H,1-2,6-7,14H2,(H,26,27)(H,28,31)(H,29,32)/t24-;18-;23-;22-/m1111/s1.
What are the key properties of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide?
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 1803.10 g/mol, XLogP of 13.89, 30 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 161211237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).