N-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide

C18H20N6O2S — CID 143687401

IUPACN-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(=Nc2nccc(-n3ncc4ccccc43)n2)CC1
InChIInChI=1S/C18H20N6O2S/c1-27(25,26)23-15-8-6-14(7-9-15)21-18-19-11-10-17(22-18)24-16-5-3-2-4-13(16)12-20-24/h2-5,10-12,15,23H,6-9H2,1H3/b21-14-
InChIKeyHNSPHVODPPGAIF-STZFKDTASA-N
MW384.47 g/mol
LogP2.38
Rot. Bonds4

About N-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide

N-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide (PubChem CID 143687401) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide
PubChem CID143687401
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC NameN-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(=Nc2nccc(-n3ncc4ccccc43)n2)CC1
InChIInChI=1S/C18H20N6O2S/c1-27(25,26)23-15-8-6-14(7-9-15)21-18-19-11-10-17(22-18)24-16-5-3-2-4-13(16)12-20-24/h2-5,10-12,15,23H,6-9H2,1H3/b21-14-
InChIKeyHNSPHVODPPGAIF-STZFKDTASA-N
XLogP2.38
TPSA102.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole
CID 59743387
1-(2-chloropyrimidin-4-yl)indazole
CID 62343876
N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide;methanesulfonic acid
CID 24823664
1-(4-methyl-2-pyridinyl)indazole
CID 58206221
3-chlorobenzenecarboperoxoic acid;1-(2-methylsulfonylpyrimidin-4-yl)indazole
CID 161079341
1-pyrazin-2-ylindazole
CID 90241496
5-methoxy-1-(2-methylsulfonylpyrimidin-4-yl)indazole
CID 121280166
N-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
CID 67988670
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]methanesulfonamide
CID 166916424
N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine
CID 62294641
N-[(2-indazol-1-yl-4-pyridinyl)methyl]propan-2-amine
CID 62293767
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide (CID 143687401) is N-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCC(=Nc2nccc(-n3ncc4ccccc43)n2)CC1.
What is the InChIKey of N-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide?
The InChIKey is HNSPHVODPPGAIF-STZFKDTASA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-27(25,26)23-15-8-6-14(7-9-15)21-18-19-11-10-17(22-18)24-16-5-3-2-4-13(16)12-20-24/h2-5,10-12,15,23H,6-9H2,1H3/b21-14-.
What are the key properties of N-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide?
N-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide has a molecular weight of 384.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-indazol-1-ylpyrimidin-2-yl)iminocyclohexyl]methanesulfonamide is sourced from PubChem (CID 143687401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).