4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide

C27H38N6O2 — CID 137484744

IUPAC4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c1cnn2C)C1CCC(C)(N)CC1
InChIInChI=1S/C27H38N6O2/c1-7-33(19-8-10-27(5,28)11-9-19)24-18(4)20(13-23-22(24)15-30-32(23)6)25(34)29-14-21-16(2)12-17(3)31-26(21)35/h12-13,15,19H,7-11,14,28H2,1-6H3,(H,29,34)(H,31,35)
InChIKeyYXYRXJPDOFOEOL-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.60
Rot. Bonds6

About 4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide

4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide (PubChem CID 137484744) has the molecular formula C27H38N6O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide.

Molecular Properties

Compound Name4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
PubChem CID137484744
Molecular FormulaC27H38N6O2
Molecular Weight478.64 g/mol
Exact Mass478.31
IUPAC Name4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c1cnn2C)C1CCC(C)(N)CC1
InChIInChI=1S/C27H38N6O2/c1-7-33(19-8-10-27(5,28)11-9-19)24-18(4)20(13-23-22(24)15-30-32(23)6)25(34)29-14-21-16(2)12-17(3)31-26(21)35/h12-13,15,19H,7-11,14,28H2,1-6H3,(H,29,34)(H,31,35)
InChIKeyYXYRXJPDOFOEOL-UHFFFAOYSA-N
XLogP3.60
TPSA109.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
CID 137484834
4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-1-methylindazole-6-carboxamide
CID 137484838
N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxamide
CID 155062702
4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide
CID 137484842
4-[ethyl-[2-iodo-1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
CID 155059178
3-[[[[4-[[4-[2-(dimethylamino)ethyl-methylamino]cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 155062682
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-methylpyrimidin-5-yl)benzamide
CID 70872436
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-5-(trifluoromethyl)benzamide
CID 70913333
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(5-hydroxy-5-methylcyclooctyl)amino]-2-methylbenzamide
CID 121381000
5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-propan-2-ylbenzamide
CID 90151374
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid
CID 158290580

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide?
The IUPAC name of 4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide (CID 137484744) is 4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide.
What is the SMILES notation for 4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide?
The canonical SMILES for 4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide is CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c1cnn2C)C1CCC(C)(N)CC1.
What is the InChIKey of 4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide?
The InChIKey is YXYRXJPDOFOEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O2/c1-7-33(19-8-10-27(5,28)11-9-19)24-18(4)20(13-23-22(24)15-30-32(23)6)25(34)29-14-21-16(2)12-17(3)31-26(21)35/h12-13,15,19H,7-11,14,28H2,1-6H3,(H,29,34)(H,31,35).
What are the key properties of 4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide?
4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide is sourced from PubChem (CID 137484744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).