N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide

C31H44N6O3 — CID 137484790

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide (PubChem CID 137484790) has the molecular formula C31H44N6O3 and a molecular weight of 548.73 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide
• PubChem CID: 137484790
• Molecular Formula: C31H44N6O3
• Molecular Weight: 548.73 g/mol
• Exact Mass: 548.35
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide
• SMILES: CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(CC)C1CCC(N2CC(OC)C2)CC1
• InChI: InChI=1S/C31H44N6O3/c1-7-24-25(30(38)32-15-26-19(3)13-20(4)34-31(26)39)14-28-27(16-33-35(28)5)29(24)37(8-2)22-11-9-21(10-12-22)36-17-23(18-36)40-6/h13-14,16,21-23H,7-12,15,17-18H2,1-6H3,(H,32,38)(H,34,39)
• InChIKey: RMCZYCXICUWIDC-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 95.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.73
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide (CID 137484790) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide is CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(CC)C1CCC(N2CC(OC)C2)CC1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide?

The InChIKey is RMCZYCXICUWIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N6O3/c1-7-24-25(30(38)32-15-26-19(3)13-20(4)34-31(26)39)14-28-27(16-33-35(28)5)29(24)37(8-2)22-11-9-21(10-12-22)36-17-23(18-36)40-6/h13-14,16,21-23H,7-12,15,17-18H2,1-6H3,(H,32,38)(H,34,39).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide has a molecular weight of 548.73 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide is sourced from PubChem (CID 137484790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).