2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate

C₈₅H₇₆Cl₄F₄IN₁₇O₇ — CID 157466982

About 2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate

2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate (PubChem CID 157466982) has the molecular formula C₈₅H₇₆Cl₄F₄IN₁₇O₇ and a molecular weight of 1792.36 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate
• PubChem CID: 157466982
• Molecular Formula: C₈₅H₇₆Cl₄F₄IN₁₇O₇
• Molecular Weight: 1792.36 g/mol
• Exact Mass: 1789.38
• IUPAC Name: 2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate
• SMILES: CC1CCc2nc(-c3cc(Cl)ccc3F)nc(I)c21.CC1CCc2nc(-c3cc(Cl)ccc3F)nc(Nc3ccncc3C(=O)O)c21.CCOC(=O)c1cnccc1N.CCOC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1C(C)CC2.CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1C(C)CC2
• InChI: InChI=1S/C22H20ClFN4O2.C21H19ClFN5O.C20H16ClFN4O2.C14H11ClFIN2.C8H10N2O2/c1-3-30-22(29)15-11-25-9-8-17(15)26-21-19-12(2)4-7-18(19)27-20(28-21)14-10-13(23)5-6-16(14)24;1-11-3-6-17-18(11)20(26-16-7-8-25-10-14(16)21(29)24-2)28-19(27-17)13-9-12(22)4-5-15(13)23;1-10-2-5-16-17(10)19(24-15-6-7-23-9-13(15)20(27)28)26-18(25-16)12-8-11(21)3-4-14(12)22;1-7-2-5-11-12(7)13(17)19-14(18-11)9-6-8(15)3-4-10(9)16;1-2-12-8(11)6-5-10-4-3-7(6)9/h5-6,8-12H,3-4,7H2,1-2H3,(H,25,26,27,28);4-5,7-11H,3,6H2,1-2H3,(H,24,29)(H,25,26,27,28);3-4,6-10H,2,5H2,1H3,(H,27,28)(H,23,24,25,26);3-4,6-7H,2,5H2,1H3;3-5H,2H2,1H3,(H2,9,10)
• InChIKey: BUPCPFNGDMKINB-UHFFFAOYSA-N
• XLogP: 20.04
• TPSA: 335.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1792.36
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate?

The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate (CID 157466982) is 2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate.

What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate?

The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate is CC1CCc2nc(-c3cc(Cl)ccc3F)nc(I)c21.CC1CCc2nc(-c3cc(Cl)ccc3F)nc(Nc3ccncc3C(=O)O)c21.CCOC(=O)c1cnccc1N.CCOC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1C(C)CC2.CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1C(C)CC2.

What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate?

The InChIKey is BUPCPFNGDMKINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O2.C21H19ClFN5O.C20H16ClFN4O2.C14H11ClFIN2.C8H10N2O2/c1-3-30-22(29)15-11-25-9-8-17(15)26-21-19-12(2)4-7-18(19)27-20(28-21)14-10-13(23)5-6-16(14)24;1-11-3-6-17-18(11)20(26-16-7-8-25-10-14(16)21(29)24-2)28-19(27-17)13-9-12(22)4-5-15(13)23;1-10-2-5-16-17(10)19(24-15-6-7-23-9-13(15)20(27)28)26-18(25-16)12-8-11(21)3-4-14(12)22;1-7-2-5-11-12(7)13(17)19-14(18-11)9-6-8(15)3-4-10(9)16;1-2-12-8(11)6-5-10-4-3-7(6)9/h5-6,8-12H,3-4,7H2,1-2H3,(H,25,26,27,28);4-5,7-11H,3,6H2,1-2H3,(H,24,29)(H,25,26,27,28);3-4,6-10H,2,5H2,1H3,(H,27,28)(H,23,24,25,26);3-4,6-7H,2,5H2,1H3;3-5H,2H2,1H3,(H2,9,10).

What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate?

2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate has a molecular weight of 1792.36 g/mol, XLogP of 20.04, 16 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-2-fluorophenyl)-4-iodo-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethyl 4-aminopyridine-3-carboxylate;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 157466982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157466982 — identifiers, structure, computed properties (public domain)

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