1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole

C19H25N7O2S — CID 59743387

IUPAC1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole
SMILESCN(C)S(=O)(=O)NC1CCC(Nc2nccc(-n3ncc4ccccc43)n2)CC1
InChIInChI=1S/C19H25N7O2S/c1-25(2)29(27,28)24-16-9-7-15(8-10-16)22-19-20-12-11-18(23-19)26-17-6-4-3-5-14(17)13-21-26/h3-6,11-13,15-16,24H,7-10H2,1-2H3,(H,20,22,23)
InChIKeyHTNUCVRCRQJDMW-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.93
Rot. Bonds6

About 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole

1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole (PubChem CID 59743387) has the molecular formula C19H25N7O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole.

Molecular Properties

Compound Name1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole
PubChem CID59743387
Molecular FormulaC19H25N7O2S
Molecular Weight415.52 g/mol
Exact Mass415.18
IUPAC Name1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole
SMILESCN(C)S(=O)(=O)NC1CCC(Nc2nccc(-n3ncc4ccccc43)n2)CC1
InChIInChI=1S/C19H25N7O2S/c1-25(2)29(27,28)24-16-9-7-15(8-10-16)22-19-20-12-11-18(23-19)26-17-6-4-3-5-14(17)13-21-26/h3-6,11-13,15-16,24H,7-10H2,1-2H3,(H,20,22,23)
InChIKeyHTNUCVRCRQJDMW-UHFFFAOYSA-N
XLogP1.93
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole
CID 59718933
N-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide
CID 143687401
N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide;methanesulfonic acid
CID 24823664
N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-N-methylmethanesulfonamide
CID 24823662
4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 140561170
ethane;N-(3-hydroxybutyl)-4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexane-1-carboxamide;N-[1-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]indazol-4-yl]hydroxylamine
CID 143687387
N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine
CID 143687407
N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-N-(2-hydroxyethyl)methanesulfonamide
CID 59718952
N-[1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]-N-methylmethanesulfonamide
CID 59743348
[4-[[4-[4-(3-methylsulfonylpropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-pyridin-2-ylmethanone
CID 59743456
6-(2-chlorophenyl)-2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidine
CID 23381143
[1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indazol-4-yl] cyanate
CID 24812796

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole?
The IUPAC name of 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole (CID 59743387) is 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole.
What is the SMILES notation for 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole?
The canonical SMILES for 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole is CN(C)S(=O)(=O)NC1CCC(Nc2nccc(-n3ncc4ccccc43)n2)CC1.
What is the InChIKey of 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole?
The InChIKey is HTNUCVRCRQJDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2S/c1-25(2)29(27,28)24-16-9-7-15(8-10-16)22-19-20-12-11-18(23-19)26-17-6-4-3-5-14(17)13-21-26/h3-6,11-13,15-16,24H,7-10H2,1-2H3,(H,20,22,23).
What are the key properties of 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole?
1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole has a molecular weight of 415.52 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole is sourced from PubChem (CID 59743387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).