6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide

C43H56N8O3 — CID 139425322

About 6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide

6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide (PubChem CID 139425322) has the molecular formula C43H56N8O3 and a molecular weight of 732.97 g/mol. Its IUPAC name is 6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

• Compound Name: 6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
• PubChem CID: 139425322
• Molecular Formula: C43H56N8O3
• Molecular Weight: 732.97 g/mol
• Exact Mass: 732.45
• IUPAC Name: 6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCNC(=O)C56CC7CC(C)(CC(C)(C7)C5)C6)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1
• InChI: InChI=1S/C43H56N8O3/c1-27(2)51-36-17-32(16-33(35(36)23-47-51)38(52)46-22-34-28(3)15-29(4)48-39(34)53)31-7-8-37(45-21-31)50-13-11-49(12-14-50)10-9-44-40(54)43-20-30-18-41(5,25-43)24-42(6,19-30)26-43/h7-8,15-17,21,23,27,30H,9-14,18-20,22,24-26H2,1-6H3,(H,44,54)(H,46,52)(H,48,53)
• InChIKey: OTNWMZNXXCBXCC-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 128.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.97
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?

The IUPAC name of 6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide (CID 139425322) is 6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide.

What is the SMILES notation for 6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?

The canonical SMILES for 6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(CCNC(=O)C56CC7CC(C)(CC(C)(C7)C5)C6)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1.

What is the InChIKey of 6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?

The InChIKey is OTNWMZNXXCBXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H56N8O3/c1-27(2)51-36-17-32(16-33(35(36)23-47-51)38(52)46-22-34-28(3)15-29(4)48-39(34)53)31-7-8-37(45-21-31)50-13-11-49(12-14-50)10-9-44-40(54)43-20-30-18-41(5,25-43)24-42(6,19-30)26-43/h7-8,15-17,21,23,27,30H,9-14,18-20,22,24-26H2,1-6H3,(H,44,54)(H,46,52)(H,48,53).

What are the key properties of 6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?

6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 732.97 g/mol, XLogP of 6.15, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 139425322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).