5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide

C22H28FN3O5 — CID 146476339

IUPAC5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)c(C(O)C(=O)N[C@@H]3CC[C@H](O)[C@@H]3O)n(C)c2C)ccc1F
InChIInChI=1S/C22H28FN3O5/c1-10-9-13(5-6-14(10)23)24-21(30)17-11(2)18(26(4)12(17)3)20(29)22(31)25-15-7-8-16(27)19(15)28/h5-6,9,15-16,19-20,27-29H,7-8H2,1-4H3,(H,24,30)(H,25,31)/t15-,16+,19-,20?/m1/s1
InChIKeyKBQNZZSIBBEIOJ-LQXLOVGSSA-N
MW433.48 g/mol
LogP1.38
Rot. Bonds5

About 5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide

5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide (PubChem CID 146476339) has the molecular formula C22H28FN3O5 and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide
PubChem CID146476339
Molecular FormulaC22H28FN3O5
Molecular Weight433.48 g/mol
Exact Mass433.20
IUPAC Name5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)c(C(O)C(=O)N[C@@H]3CC[C@H](O)[C@@H]3O)n(C)c2C)ccc1F
InChIInChI=1S/C22H28FN3O5/c1-10-9-13(5-6-14(10)23)24-21(30)17-11(2)18(26(4)12(17)3)20(29)22(31)25-15-7-8-16(27)19(15)28/h5-6,9,15-16,19-20,27-29H,7-8H2,1-4H3,(H,24,30)(H,25,31)/t15-,16+,19-,20?/m1/s1
InChIKeyKBQNZZSIBBEIOJ-LQXLOVGSSA-N
XLogP1.38
TPSA123.82 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 51.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide
CID 146450244
N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide
CID 146450166
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(thian-4-ylamino)acetyl]pyrrole-3-carboxamide
CID 146450371
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 157283710
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 146449974
N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide
CID 146450309
5-[2-(2-adamantylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide
CID 146449826
5-[2-[(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide
CID 146450578
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(4-methylpiperidin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 158428911
5-[2-[[(3S,4R)-3,4-dihydroxy-1-methylcyclohexyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide
CID 146450427
methyl 2-[[2-[4-[(3-cyano-4-fluorophenyl)carbamoyl]-1,3,5-trimethylpyrrol-2-yl]-2-hydroxyacetyl]amino]-2-methylpropanoate
CID 139551772
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(3R)-2-oxopiperidin-3-yl]amino]acetyl]pyrrole-3-carboxamide
CID 146450173

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide?
The IUPAC name of 5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide (CID 146476339) is 5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide?
The canonical SMILES for 5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(O)C(=O)N[C@@H]3CC[C@H](O)[C@@H]3O)n(C)c2C)ccc1F.
What is the InChIKey of 5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide?
The InChIKey is KBQNZZSIBBEIOJ-LQXLOVGSSA-N. The full InChI is InChI=1S/C22H28FN3O5/c1-10-9-13(5-6-14(10)23)24-21(30)17-11(2)18(26(4)12(17)3)20(29)22(31)25-15-7-8-16(27)19(15)28/h5-6,9,15-16,19-20,27-29H,7-8H2,1-4H3,(H,24,30)(H,25,31)/t15-,16+,19-,20?/m1/s1.
What are the key properties of 5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide?
5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 1.38, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(1R,2R,3S)-2,3-dihydroxycyclopentyl]amino]-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 146476339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).