N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

C109H128N22O12S — CID 159440842

About N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 159440842) has the molecular formula C109H128N22O12S and a molecular weight of 1970.43 g/mol. Its IUPAC name is N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
• PubChem CID: 159440842
• Molecular Formula: C109H128N22O12S
• Molecular Weight: 1970.43 g/mol
• Exact Mass: 1968.98
• IUPAC Name: N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
• SMILES: CN1C(=O)C2(C)CC(C)(C(=O)NCc3ccc(-n4nc(C(C)(C)C)cc4NC(=O)Nc4ccc5ccccc5n4)cc3)CC(C)(C2)C1=O.CN1C(=O)C2(C)CC(C)(C(=O)NCc3ccc(-n4nc(C(C)(C)C)cc4NC(=O)Nc4nc(-c5ccccc5)cs4)cc3)CC(C)(C2)C1=O.CN1C(=O)C2(C)CC(C)(C(=O)NCc3ccc(-n4nc(C(C)(C)C)cc4NC(=O)Nc4nc5ccccc5[nH]4)cc3)CC(C)(C2)C1=O
• InChI: InChI=1S/C37H43N7O4S.C37H43N7O4.C35H42N8O4/c1-34(2,3)27-17-28(40-32(48)41-33-39-26(19-49-33)24-11-9-8-10-12-24)44(42-27)25-15-13-23(14-16-25)18-38-29(45)35(4)20-36(5)22-37(6,21-35)31(47)43(7)30(36)46;1-34(2,3)27-18-29(41-33(48)40-28-17-14-24-10-8-9-11-26(24)39-28)44(42-27)25-15-12-23(13-16-25)19-38-30(45)35(4)20-36(5)22-37(6,21-35)32(47)43(7)31(36)46;1-32(2,3)25-16-26(39-31(47)40-30-37-23-10-8-9-11-24(23)38-30)43(41-25)22-14-12-21(13-15-22)17-36-27(44)33(4)18-34(5)20-35(6,19-33)29(46)42(7)28(34)45/h8-17,19H,18,20-22H2,1-7H3,(H,38,45)(H2,39,40,41,48);8-18H,19-22H2,1-7H3,(H,38,45)(H2,39,40,41,48);8-16H,17-20H2,1-7H3,(H,36,44)(H3,37,38,39,40,47)
• InChIKey: LSDOFSPYKXZFSR-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 430.75 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1970.43
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?

The IUPAC name of N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 159440842) is N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

What is the SMILES notation for N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?

The canonical SMILES for N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is CN1C(=O)C2(C)CC(C)(C(=O)NCc3ccc(-n4nc(C(C)(C)C)cc4NC(=O)Nc4ccc5ccccc5n4)cc3)CC(C)(C2)C1=O.CN1C(=O)C2(C)CC(C)(C(=O)NCc3ccc(-n4nc(C(C)(C)C)cc4NC(=O)Nc4nc(-c5ccccc5)cs4)cc3)CC(C)(C2)C1=O.CN1C(=O)C2(C)CC(C)(C(=O)NCc3ccc(-n4nc(C(C)(C)C)cc4NC(=O)Nc4nc5ccccc5[nH]4)cc3)CC(C)(C2)C1=O.

What is the InChIKey of N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?

The InChIKey is LSDOFSPYKXZFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N7O4S.C37H43N7O4.C35H42N8O4/c1-34(2,3)27-17-28(40-32(48)41-33-39-26(19-49-33)24-11-9-8-10-12-24)44(42-27)25-15-13-23(14-16-25)18-38-29(45)35(4)20-36(5)22-37(6,21-35)31(47)43(7)30(36)46;1-34(2,3)27-18-29(41-33(48)40-28-17-14-24-10-8-9-11-26(24)39-28)44(42-27)25-15-12-23(13-16-25)19-38-30(45)35(4)20-36(5)22-37(6,21-35)32(47)43(7)31(36)46;1-32(2,3)25-16-26(39-31(47)40-30-37-23-10-8-9-11-24(23)38-30)43(41-25)22-14-12-21(13-15-22)17-36-27(44)33(4)18-34(5)20-35(6,19-33)29(46)42(7)28(34)45/h8-17,19H,18,20-22H2,1-7H3,(H,38,45)(H2,39,40,41,48);8-18H,19-22H2,1-7H3,(H,38,45)(H2,39,40,41,48);8-16H,17-20H2,1-7H3,(H,36,44)(H3,37,38,39,40,47).

What are the key properties of N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?

N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 1970.43 g/mol, XLogP of 18.44, 19 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 159440842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).