5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide

C26H35N5O4 — CID 162678215

IUPAC5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide
SMILESCCc1c(C(=O)NCC2C(=O)N=C(C)C=C2OC)cc2c(cnn2C)c1N(CC)C1CCOCC1
InChIInChI=1S/C26H35N5O4/c1-6-18-19(25(32)27-14-21-23(34-5)12-16(3)29-26(21)33)13-22-20(15-28-30(22)4)24(18)31(7-2)17-8-10-35-11-9-17/h12-13,15,17,21H,6-11,14H2,1-5H3,(H,27,32)
InChIKeyMDUAEIVHTQAEHV-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.02
Rot. Bonds8

About 5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide

5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide (PubChem CID 162678215) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide
PubChem CID162678215
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide
SMILESCCc1c(C(=O)NCC2C(=O)N=C(C)C=C2OC)cc2c(cnn2C)c1N(CC)C1CCOCC1
InChIInChI=1S/C26H35N5O4/c1-6-18-19(25(32)27-14-21-23(34-5)12-16(3)29-26(21)33)13-22-20(15-28-30(22)4)24(18)31(7-2)17-8-10-35-11-9-17/h12-13,15,17,21H,6-11,14H2,1-5H3,(H,27,32)
InChIKeyMDUAEIVHTQAEHV-UHFFFAOYSA-N
XLogP3.02
TPSA98.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide?
The IUPAC name of 5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide (CID 162678215) is 5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide.
What is the SMILES notation for 5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide?
The canonical SMILES for 5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide is CCc1c(C(=O)NCC2C(=O)N=C(C)C=C2OC)cc2c(cnn2C)c1N(CC)C1CCOCC1.
What is the InChIKey of 5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide?
The InChIKey is MDUAEIVHTQAEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-6-18-19(25(32)27-14-21-23(34-5)12-16(3)29-26(21)33)13-22-20(15-28-30(22)4)24(18)31(7-2)17-8-10-35-11-9-17/h12-13,15,17,21H,6-11,14H2,1-5H3,(H,27,32).
What are the key properties of 5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide?
5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide is sourced from PubChem (CID 162678215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).