N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide

C29H40N6O3 — CID 155062645

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide
SMILESCOC1CN(C2CCC(N(C)c3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c4c3cnn4C)CC2)C1
InChIInChI=1S/C29H40N6O3/c1-17-11-18(2)32-29(37)24(17)13-30-28(36)23-12-26(25-14-31-34(5)27(25)19(23)3)33(4)20-7-9-21(10-8-20)35-15-22(16-35)38-6/h11-12,14,20-22H,7-10,13,15-16H2,1-6H3,(H,30,36)(H,32,37)
InChIKeyWKRZNXIHSRYLJY-UHFFFAOYSA-N
MW520.68 g/mol
LogP3.19
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide (PubChem CID 155062645) has the molecular formula C29H40N6O3 and a molecular weight of 520.68 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide
PubChem CID155062645
Molecular FormulaC29H40N6O3
Molecular Weight520.68 g/mol
Exact Mass520.32
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide
SMILESCOC1CN(C2CCC(N(C)c3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c4c3cnn4C)CC2)C1
InChIInChI=1S/C29H40N6O3/c1-17-11-18(2)32-29(37)24(17)13-30-28(36)23-12-26(25-14-31-34(5)27(25)19(23)3)33(4)20-7-9-21(10-8-20)35-15-22(16-35)38-6/h11-12,14,20-22H,7-10,13,15-16H2,1-6H3,(H,30,36)(H,32,37)
InChIKeyWKRZNXIHSRYLJY-UHFFFAOYSA-N
XLogP3.19
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.68
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide 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]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide (CID 155062645) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide is COC1CN(C2CCC(N(C)c3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c4c3cnn4C)CC2)C1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide?
The InChIKey is WKRZNXIHSRYLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N6O3/c1-17-11-18(2)32-29(37)24(17)13-30-28(36)23-12-26(25-14-31-34(5)27(25)19(23)3)33(4)20-7-9-21(10-8-20)35-15-22(16-35)38-6/h11-12,14,20-22H,7-10,13,15-16H2,1-6H3,(H,30,36)(H,32,37).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide has a molecular weight of 520.68 g/mol, XLogP of 3.19, 7 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]-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-1,7-dimethylindazole-6-carboxamide is sourced from PubChem (CID 155062645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).