4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide

C107H107Cl4FN30O6 — CID 157208668

About 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide

4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide (PubChem CID 157208668) has the molecular formula C107H107Cl4FN30O6 and a molecular weight of 2070.05 g/mol. Its IUPAC name is 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide
• PubChem CID: 157208668
• Molecular Formula: C107H107Cl4FN30O6
• Molecular Weight: 2070.05 g/mol
• Exact Mass: 2066.77
• IUPAC Name: 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide
• SMILES: C#Cc1nccc(NC(=O)N2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)n1.C=CC1NCc2ccc(NC(=O)N3CCC(Nc4ncc(Cl)c(-c5c[nH]c6ccccc56)n4)CC3)cc21.Cc1cc(C)n(C(=O)N2CCC(NC(=O)N3CCC(Nc4ncc(Cl)c(-c5c[nH]c6ccccc56)n4)CC3)CC2)n1.O=C(CF)c1cccc(NC(=O)N2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)c1
• InChI: InChI=1S/C29H34ClN9O2.C28H28ClN7O.C26H24ClFN6O2.C24H21ClN8O/c1-18-15-19(2)39(36-18)29(41)38-13-9-21(10-14-38)34-28(40)37-11-7-20(8-12-37)33-27-32-17-24(30)26(35-27)23-16-31-25-6-4-3-5-22(23)25;1-2-24-21-13-19(8-7-17(21)14-30-24)34-28(37)36-11-9-18(10-12-36)33-27-32-16-23(29)26(35-27)22-15-31-25-6-4-3-5-20(22)25;27-21-15-30-25(33-24(21)20-14-29-22-7-2-1-6-19(20)22)31-17-8-10-34(11-9-17)26(36)32-18-5-3-4-16(12-18)23(35)13-28;1-2-20-26-10-7-21(30-20)31-24(34)33-11-8-15(9-12-33)29-23-28-14-18(25)22(32-23)17-13-27-19-6-4-3-5-16(17)19/h3-6,15-17,20-21,31H,7-14H2,1-2H3,(H,34,40)(H,32,33,35);2-8,13,15-16,18,24,30-31H,1,9-12,14H2,(H,34,37)(H,32,33,35);1-7,12,14-15,17,29H,8-11,13H2,(H,32,36)(H,30,31,33);1,3-7,10,13-15,27H,8-9,11-12H2,(H,28,29,32)(H,26,30,31,34)
• InChIKey: ARQHHJIMYWRJQB-UHFFFAOYSA-N
• XLogP: 20.22
• TPSA: 436.77 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2070.05
LogP ≤ 5	20.22
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide?

The IUPAC name of 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide (CID 157208668) is 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide.

What is the SMILES notation for 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide?

The canonical SMILES for 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide is C#Cc1nccc(NC(=O)N2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)n1.C=CC1NCc2ccc(NC(=O)N3CCC(Nc4ncc(Cl)c(-c5c[nH]c6ccccc56)n4)CC3)cc21.Cc1cc(C)n(C(=O)N2CCC(NC(=O)N3CCC(Nc4ncc(Cl)c(-c5c[nH]c6ccccc56)n4)CC3)CC2)n1.O=C(CF)c1cccc(NC(=O)N2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)c1.

What is the InChIKey of 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide?

The InChIKey is ARQHHJIMYWRJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN9O2.C28H28ClN7O.C26H24ClFN6O2.C24H21ClN8O/c1-18-15-19(2)39(36-18)29(41)38-13-9-21(10-14-38)34-28(40)37-11-7-20(8-12-37)33-27-32-17-24(30)26(35-27)23-16-31-25-6-4-3-5-22(23)25;1-2-24-21-13-19(8-7-17(21)14-30-24)34-28(37)36-11-9-18(10-12-36)33-27-32-16-23(29)26(35-27)22-15-31-25-6-4-3-5-20(22)25;27-21-15-30-25(33-24(21)20-14-29-22-7-2-1-6-19(20)22)31-17-8-10-34(11-9-17)26(36)32-18-5-3-4-16(12-18)23(35)13-28;1-2-20-26-10-7-21(30-20)31-24(34)33-11-8-15(9-12-33)29-23-28-14-18(25)22(32-23)17-13-27-19-6-4-3-5-16(17)19/h3-6,15-17,20-21,31H,7-14H2,1-2H3,(H,34,40)(H,32,33,35);2-8,13,15-16,18,24,30-31H,1,9-12,14H2,(H,34,37)(H,32,33,35);1-7,12,14-15,17,29H,8-11,13H2,(H,32,36)(H,30,31,33);1,3-7,10,13-15,27H,8-9,11-12H2,(H,28,29,32)(H,26,30,31,34).

What are the key properties of 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide?

4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide has a molecular weight of 2070.05 g/mol, XLogP of 20.22, 19 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[1-(3,5-dimethylpyrazole-1-carbonyl)piperidin-4-yl]piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(3-ethenyl-2,3-dihydro-1H-isoindol-5-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-ethynylpyrimidin-4-yl)piperidine-1-carboxamide;4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-[3-(2-fluoroacetyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 157208668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).