4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide

C25H33N5O4 — CID 162678241

IUPAC4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2OC)cc2nn(C)cc12)C1CCOCC1
InChIInChI=1S/C25H33N5O4/c1-6-30(17-7-9-34-10-8-17)23-16(3)18(12-21-20(23)14-29(4)28-21)24(31)26-13-19-22(33-5)11-15(2)27-25(19)32/h11-12,14,17,19H,6-10,13H2,1-5H3,(H,26,31)
InChIKeyIHZWNTQPMWMFKM-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.76
Rot. Bonds7

About 4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide

4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide (PubChem CID 162678241) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide.

Molecular Properties

Compound Name4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide
PubChem CID162678241
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC Name4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2OC)cc2nn(C)cc12)C1CCOCC1
InChIInChI=1S/C25H33N5O4/c1-6-30(17-7-9-34-10-8-17)23-16(3)18(12-21-20(23)14-29(4)28-21)24(31)26-13-19-22(33-5)11-15(2)27-25(19)32/h11-12,14,17,19H,6-10,13H2,1-5H3,(H,26,31)
InChIKeyIHZWNTQPMWMFKM-UHFFFAOYSA-N
XLogP2.76
TPSA98.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide?
The IUPAC name of 4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide (CID 162678241) is 4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide.
What is the SMILES notation for 4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide?
The canonical SMILES for 4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide is CCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2OC)cc2nn(C)cc12)C1CCOCC1.
What is the InChIKey of 4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide?
The InChIKey is IHZWNTQPMWMFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-6-30(17-7-9-34-10-8-17)23-16(3)18(12-21-20(23)14-29(4)28-21)24(31)26-13-19-22(33-5)11-15(2)27-25(19)32/h11-12,14,17,19H,6-10,13H2,1-5H3,(H,26,31).
What are the key properties of 4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide?
4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide is sourced from PubChem (CID 162678241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).