N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide

C45H54ClN11O5 — CID 178116770

About N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide

N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 178116770) has the molecular formula C45H54ClN11O5 and a molecular weight of 864.45 g/mol. Its IUPAC name is N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 178116770
• Molecular Formula: C45H54ClN11O5
• Molecular Weight: 864.45 g/mol
• Exact Mass: 863.40
• IUPAC Name: N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
• SMILES: Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)NCC(C)(C)CNC(=O)C4CCN(CC5CCN(c6cncc([C@@H]7CCC(=O)NC7=O)c6)CC5)CC4)cc3)c2[nH]1
• InChI: InChI=1S/C45H54ClN11O5/c1-27-35(24-55(4)54-27)40-52-38-39(36(46)22-48-41(38)53-40)62-33-7-5-29(6-8-33)42(59)49-25-45(2,3)26-50-43(60)30-13-15-56(16-14-30)23-28-11-17-57(18-12-28)32-19-31(20-47-21-32)34-9-10-37(58)51-44(34)61/h5-8,19-22,24,28,30,34H,9-18,23,25-26H2,1-4H3,(H,49,59)(H,50,60)(H,48,52,53)(H,51,58,61)/t34-/m0/s1
• InChIKey: TYOGYQLOLRTCSP-UMSFTDKQSA-N
• XLogP: 5.53
• TPSA: 192.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	864.45
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide (CID 178116770) is N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?

The canonical SMILES for N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide is Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)NCC(C)(C)CNC(=O)C4CCN(CC5CCN(c6cncc([C@@H]7CCC(=O)NC7=O)c6)CC5)CC4)cc3)c2[nH]1.

What is the InChIKey of N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?

The InChIKey is TYOGYQLOLRTCSP-UMSFTDKQSA-N. The full InChI is InChI=1S/C45H54ClN11O5/c1-27-35(24-55(4)54-27)40-52-38-39(36(46)22-48-41(38)53-40)62-33-7-5-29(6-8-33)42(59)49-25-45(2,3)26-50-43(60)30-13-15-56(16-14-30)23-28-11-17-57(18-12-28)32-19-31(20-47-21-32)34-9-10-37(58)51-44(34)61/h5-8,19-22,24,28,30,34H,9-18,23,25-26H2,1-4H3,(H,49,59)(H,50,60)(H,48,52,53)(H,51,58,61)/t34-/m0/s1.

What are the key properties of N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?

N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 864.45 g/mol, XLogP of 5.53, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]amino]-2,2-dimethylpropyl]-1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-3-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 178116770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).