N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid

C44H60N8O6 — CID 160691299

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid
SMILESCCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(CC)C1CCOCC1.CCc1c(C(=O)O)cc2c(cnn2C)c1N(CC)C1CCOCC1
InChIInChI=1S/C26H35N5O3.C18H25N3O3/c1-6-19-20(25(32)27-14-21-16(3)12-17(4)29-26(21)33)13-23-22(15-28-30(23)5)24(19)31(7-2)18-8-10-34-11-9-18;1-4-13-14(18(22)23)10-16-15(11-19-20(16)3)17(13)21(5-2)12-6-8-24-9-7-12/h12-13,15,18H,6-11,14H2,1-5H3,(H,27,32)(H,29,33);10-12H,4-9H2,1-3H3,(H,22,23)
InChIKeyRPLAASYYORNPNF-UHFFFAOYSA-N
MW797.01 g/mol
LogP6.22
Rot. Bonds12

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid (PubChem CID 160691299) has the molecular formula C44H60N8O6 and a molecular weight of 797.01 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid
PubChem CID160691299
Molecular FormulaC44H60N8O6
Molecular Weight797.01 g/mol
Exact Mass796.46
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid
SMILESCCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(CC)C1CCOCC1.CCc1c(C(=O)O)cc2c(cnn2C)c1N(CC)C1CCOCC1
InChIInChI=1S/C26H35N5O3.C18H25N3O3/c1-6-19-20(25(32)27-14-21-16(3)12-17(4)29-26(21)33)13-23-22(15-28-30(23)5)24(19)31(7-2)18-8-10-34-11-9-18;1-4-13-14(18(22)23)10-16-15(11-19-20(16)3)17(13)21(5-2)12-6-8-24-9-7-12/h12-13,15,18H,6-11,14H2,1-5H3,(H,27,32)(H,29,33);10-12H,4-9H2,1-3H3,(H,22,23)
InChIKeyRPLAASYYORNPNF-UHFFFAOYSA-N
XLogP6.22
TPSA159.84 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500797.01
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid (CID 160691299) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid is CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(CC)C1CCOCC1.CCc1c(C(=O)O)cc2c(cnn2C)c1N(CC)C1CCOCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid?
The InChIKey is RPLAASYYORNPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3.C18H25N3O3/c1-6-19-20(25(32)27-14-21-16(3)12-17(4)29-26(21)33)13-23-22(15-28-30(23)5)24(19)31(7-2)18-8-10-34-11-9-18;1-4-13-14(18(22)23)10-16-15(11-19-20(16)3)17(13)21(5-2)12-6-8-24-9-7-12/h12-13,15,18H,6-11,14H2,1-5H3,(H,27,32)(H,29,33);10-12H,4-9H2,1-3H3,(H,22,23).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid has a molecular weight of 797.01 g/mol, XLogP of 6.22, 12 rotatable bonds, 3 hydrogen bond donors, and 11 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(oxan-4-yl)amino]-1-methylindazole-6-carboxamide;5-ethyl-4-[ethyl(oxan-4-yl)amino]-1-methylindazole-6-carboxylic acid is sourced from PubChem (CID 160691299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).