N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide

C129H136N36O13S5 — CID 158672700

About N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide

N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 158672700) has the molecular formula C129H136N36O13S5 and a molecular weight of 2559.08 g/mol. Its IUPAC name is N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 158672700
• Molecular Formula: C129H136N36O13S5
• Molecular Weight: 2559.08 g/mol
• Exact Mass: 2556.97
• IUPAC Name: N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide
• SMILES: COCCOc1ccc(-c2cnn(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)c2)cc1.COCCOc1ccc(-c2cnn(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)c2)cc1OC.COCCOc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCC4(CC3)CNC4)cs1)C2.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3ccc4ncccc4c3)cn2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3cccc(N4CCCC4)c3)cn2)n1
• InChI: InChI=1S/C27H30N6O4S.C26H28N8OS.C26H29N7O4S.C25H22N8OS.C25H27N7O3S/c1-36-10-11-37-19-3-2-18-14-33(25(35)20(18)12-19)26-31-22(15-38-26)24(34)30-21-13-28-7-4-23(21)32-8-5-27(6-9-32)16-29-17-27;35-25(30-22-16-28-7-6-24(22)33-12-8-27-9-13-33)23-18-36-26(31-23)34-17-20(15-29-34)19-4-3-5-21(14-19)32-10-1-2-11-32;1-35-11-12-37-23-4-3-18(13-24(23)36-2)19-14-29-33(16-19)26-31-21(17-38-26)25(34)30-20-15-28-6-5-22(20)32-9-7-27-8-10-32;34-24(30-21-14-27-7-5-23(21)32-10-8-26-9-11-32)22-16-35-25(31-22)33-15-19(13-29-33)17-3-4-20-18(12-17)2-1-6-28-20;1-34-12-13-35-20-4-2-18(3-5-20)19-14-28-32(16-19)25-30-22(17-36-25)24(33)29-21-15-27-7-6-23(21)31-10-8-26-9-11-31/h2-4,7,12-13,15,29H,5-6,8-11,14,16-17H2,1H3,(H,30,34);3-7,14-18,27H,1-2,8-13H2,(H,30,35);3-6,13-17,27H,7-12H2,1-2H3,(H,30,34);1-7,12-16,26H,8-11H2,(H,30,34);2-7,14-17,26H,8-13H2,1H3,(H,29,33)
• InChIKey: IEDJJKMXEBZREU-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 523.08 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 48
• Rotatable Bonds: 38
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2559.08
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide (CID 158672700) is N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide is COCCOc1ccc(-c2cnn(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)c2)cc1.COCCOc1ccc(-c2cnn(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)c2)cc1OC.COCCOc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCC4(CC3)CNC4)cs1)C2.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3ccc4ncccc4c3)cn2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3cccc(N4CCCC4)c3)cn2)n1.

What is the InChIKey of N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is IEDJJKMXEBZREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4S.C26H28N8OS.C26H29N7O4S.C25H22N8OS.C25H27N7O3S/c1-36-10-11-37-19-3-2-18-14-33(25(35)20(18)12-19)26-31-22(15-38-26)24(34)30-21-13-28-7-4-23(21)32-8-5-27(6-9-32)16-29-17-27;35-25(30-22-16-28-7-6-24(22)33-12-8-27-9-13-33)23-18-36-26(31-23)34-17-20(15-29-34)19-4-3-5-21(14-19)32-10-1-2-11-32;1-35-11-12-37-23-4-3-18(13-24(23)36-2)19-14-29-33(16-19)26-31-21(17-38-26)25(34)30-20-15-28-6-5-22(20)32-9-7-27-8-10-32;34-24(30-21-14-27-7-5-23(21)32-10-8-26-9-11-32)22-16-35-25(31-22)33-15-19(13-29-33)17-3-4-20-18(12-17)2-1-6-28-20;1-34-12-13-35-20-4-2-18(3-5-20)19-14-28-32(16-19)25-30-22(17-36-25)24(33)29-21-15-27-7-6-23(21)31-10-8-26-9-11-31/h2-4,7,12-13,15,29H,5-6,8-11,14,16-17H2,1H3,(H,30,34);3-7,14-18,27H,1-2,8-13H2,(H,30,35);3-6,13-17,27H,7-12H2,1-2H3,(H,30,34);1-7,12-16,26H,8-11H2,(H,30,34);2-7,14-17,26H,8-13H2,1H3,(H,29,33).

What are the key properties of N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide?

N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 2559.08 g/mol, XLogP of 16.58, 38 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158672700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).