5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: 5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide

5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide (PubChem CID 157478993) has the molecular formula C72H84F3N13O12S and a molecular weight of 1412.60 g/mol. Its IUPAC name is 5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name	5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide
PubChem CID	157478993
Molecular Formula	C72H84F3N13O12S
Molecular Weight	1412.60 g/mol
Exact Mass	1411.60
IUPAC Name	5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide
SMILES	CC(=O)N1CC[C@@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4cccnc4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)n(C)c2C)ccc1F
InChI	InChI=1S/C27H30FN5O3.C23H27FN4O4.C22H27FN4O5S/c1-16-14-20(7-8-22(16)28)31-26(35)23-17(2)24(32(4)18(23)3)25(34)27(36)30-19-9-12-33(13-10-19)21-6-5-11-29-15-21;1-12-10-16(6-7-18(12)24)25-22(31)19-13(2)20(27(5)14(19)3)21(30)23(32)26-17-8-9-28(11-17)15(4)29;1-12-10-15(6-7-17(12)23)24-21(29)18-13(2)19(26(4)14(18)3)20(28)22(30)25-16-8-9-27(11-16)33(5,31)32/h5-8,11,14-15,19H,9-10,12-13H2,1-4H3,(H,30,36)(H,31,35);6-7,10,17H,8-9,11H2,1-5H3,(H,25,31)(H,26,32);6-7,10,16H,8-9,11H2,1-5H3,(H,24,29)(H,25,30)/t;17-;16-/m.11/s1
InChIKey	BVXYBOMBMAEBIP-ZQIBMYPJSA-N
XLogP	7.64
TPSA	314.42 Å²
H-Bond Donors	6
H-Bond Acceptors	17
Rotatable Bonds	17
Heavy Atoms	101
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1412.60
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide (CID 157478993) is 5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide is CC(=O)N1CC[C@@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4cccnc4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)n(C)c2C)ccc1F.

What is the InChIKey of 5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide?

The InChIKey is BVXYBOMBMAEBIP-ZQIBMYPJSA-N. The full InChI is InChI=1S/C27H30FN5O3.C23H27FN4O4.C22H27FN4O5S/c1-16-14-20(7-8-22(16)28)31-26(35)23-17(2)24(32(4)18(23)3)25(34)27(36)30-19-9-12-33(13-10-19)21-6-5-11-29-15-21;1-12-10-16(6-7-18(12)24)25-22(31)19-13(2)20(27(5)14(19)3)21(30)23(32)26-17-8-9-28(11-17)15(4)29;1-12-10-15(6-7-17(12)23)24-21(29)18-13(2)19(26(4)14(18)3)20(28)22(30)25-16-8-9-27(11-16)33(5,31)32/h5-8,11,14-15,19H,9-10,12-13H2,1-4H3,(H,30,36)(H,31,35);6-7,10,17H,8-9,11H2,1-5H3,(H,25,31)(H,26,32);6-7,10,16H,8-9,11H2,1-5H3,(H,24,29)(H,25,30)/t;17-;16-/m.11/s1.

What are the key properties of 5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide?

Where does this data come from?

All data for 5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 157478993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).