N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate

C115H110Cl5F2N27O10 — CID 158027625

About N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate

N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate (PubChem CID 158027625) has the molecular formula C115H110Cl5F2N27O10 and a molecular weight of 2245.58 g/mol. Its IUPAC name is N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate
• PubChem CID: 158027625
• Molecular Formula: C115H110Cl5F2N27O10
• Molecular Weight: 2245.58 g/mol
• Exact Mass: 2241.73
• IUPAC Name: N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate
• SMILES: COC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3cc(CN4CCCC4)ccc3Cl)c2)c(C)cn1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(-c2ncc[nH]2)c(-c2ccccc2Cl)c1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(-c2ncn[nH]2)c(-c2cc(CN3CCCC3)ccc2Cl)c1.Cc1cnc(NC(=O)OCCF)cc1-n1cc(-c2ncn[nH]2)c(-c2ccccc2Cl)c1.Cc1cnc(NC(=O)OCCF)cc1-n1cc(C(N)=O)c(-c2ccccc2Cl)c1
• InChI: InChI=1S/C27H28ClN7O.C24H26ClN5O3.C23H20ClN5O.C21H18ClFN6O2.C20H18ClFN4O3/c1-17-12-29-25(32-27(36)19-5-6-19)11-24(17)35-14-21(22(15-35)26-30-16-31-33-26)20-10-18(4-7-23(20)28)13-34-8-2-3-9-34;1-15-11-27-22(28-24(32)33-2)10-21(15)30-13-18(19(14-30)23(26)31)17-9-16(5-6-20(17)25)12-29-7-3-4-8-29;1-14-11-27-21(28-23(30)15-6-7-15)10-20(14)29-12-17(16-4-2-3-5-19(16)24)18(13-29)22-25-8-9-26-22;1-13-9-24-19(27-21(30)31-7-6-23)8-18(13)29-10-15(14-4-2-3-5-17(14)22)16(11-29)20-25-12-26-28-20;1-12-9-24-18(25-20(28)29-7-6-22)8-17(12)26-10-14(15(11-26)19(23)27)13-4-2-3-5-16(13)21/h4,7,10-12,14-16,19H,2-3,5-6,8-9,13H2,1H3,(H,29,32,36)(H,30,31,33);5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H2,26,31)(H,27,28,32);2-5,8-13,15H,6-7H2,1H3,(H,25,26)(H,27,28,30);2-5,8-12H,6-7H2,1H3,(H,24,27,30)(H,25,26,28);2-5,8-11H,6-7H2,1H3,(H2,23,27)(H,24,25,28)
• InChIKey: FGUDCWAJQWJVGJ-UHFFFAOYSA-N
• XLogP: 23.77
• TPSA: 466.77 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2245.58
LogP ≤ 5	23.77
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate?

The IUPAC name of N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate (CID 158027625) is N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate.

What is the SMILES notation for N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate?

The canonical SMILES for N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate is COC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3cc(CN4CCCC4)ccc3Cl)c2)c(C)cn1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(-c2ncc[nH]2)c(-c2ccccc2Cl)c1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(-c2ncn[nH]2)c(-c2cc(CN3CCCC3)ccc2Cl)c1.Cc1cnc(NC(=O)OCCF)cc1-n1cc(-c2ncn[nH]2)c(-c2ccccc2Cl)c1.Cc1cnc(NC(=O)OCCF)cc1-n1cc(C(N)=O)c(-c2ccccc2Cl)c1.

What is the InChIKey of N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate?

The InChIKey is FGUDCWAJQWJVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN7O.C24H26ClN5O3.C23H20ClN5O.C21H18ClFN6O2.C20H18ClFN4O3/c1-17-12-29-25(32-27(36)19-5-6-19)11-24(17)35-14-21(22(15-35)26-30-16-31-33-26)20-10-18(4-7-23(20)28)13-34-8-2-3-9-34;1-15-11-27-22(28-24(32)33-2)10-21(15)30-13-18(19(14-30)23(26)31)17-9-16(5-6-20(17)25)12-29-7-3-4-8-29;1-14-11-27-21(28-23(30)15-6-7-15)10-20(14)29-12-17(16-4-2-3-5-19(16)24)18(13-29)22-25-8-9-26-22;1-13-9-24-19(27-21(30)31-7-6-23)8-18(13)29-10-15(14-4-2-3-5-17(14)22)16(11-29)20-25-12-26-28-20;1-12-9-24-18(25-20(28)29-7-6-22)8-17(12)26-10-14(15(11-26)19(23)27)13-4-2-3-5-16(13)21/h4,7,10-12,14-16,19H,2-3,5-6,8-9,13H2,1H3,(H,29,32,36)(H,30,31,33);5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H2,26,31)(H,27,28,32);2-5,8-13,15H,6-7H2,1H3,(H,25,26)(H,27,28,30);2-5,8-12H,6-7H2,1H3,(H,24,27,30)(H,25,26,28);2-5,8-11H,6-7H2,1H3,(H2,23,27)(H,24,25,28).

What are the key properties of N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate?

N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate has a molecular weight of 2245.58 g/mol, XLogP of 23.77, 30 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate is sourced from PubChem (CID 158027625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).