N-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide

C24H27N7O2S — CID 118234093

IUPACN-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn([C@@H]5CCCC(NS(C)(=O)=O)C5)c4)cn3)c2)cn1
InChIInChI=1S/C24H27N7O2S/c1-30-15-20(13-27-30)17-5-3-6-18(9-17)24-25-11-19(12-26-24)21-14-28-31(16-21)23-8-4-7-22(10-23)29-34(2,32)33/h3,5-6,9,11-16,22-23,29H,4,7-8,10H2,1-2H3/t22?,23-/m1/s1
InChIKeyDKQQDDPJFKYYTK-OZAIVSQSSA-N
MW477.59 g/mol
LogP3.44
Rot. Bonds6

About N-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide

N-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide (PubChem CID 118234093) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide
PubChem CID118234093
Molecular FormulaC24H27N7O2S
Molecular Weight477.59 g/mol
Exact Mass477.19
IUPAC NameN-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn([C@@H]5CCCC(NS(C)(=O)=O)C5)c4)cn3)c2)cn1
InChIInChI=1S/C24H27N7O2S/c1-30-15-20(13-27-30)17-5-3-6-18(9-17)24-25-11-19(12-26-24)21-14-28-31(16-21)23-8-4-7-22(10-23)29-34(2,32)33/h3,5-6,9,11-16,22-23,29H,4,7-8,10H2,1-2H3/t22?,23-/m1/s1
InChIKeyDKQQDDPJFKYYTK-OZAIVSQSSA-N
XLogP3.44
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1R,3S)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]prop-2-enamide
CID 135134495
3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexane-1-carboxylate
CID 140877997
4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-one
CID 72943398
4-[(3S)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]morpholine
CID 144886080
N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide
CID 72943282
4-[(1S,3S)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]morpholin-3-one
CID 118234166
5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine
CID 144886075
2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidine;2,2,2-trifluoroacetic acid
CID 118227135
2-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]oxyethanol
CID 118072883
8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol
CID 123805654
1,1,1-trifluoro-3-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]propan-2-ol
CID 72944227
1-(2-hydroxyethyl)-8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-one
CID 134607408

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide (CID 118234093) is N-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide is Cn1cc(-c2cccc(-c3ncc(-c4cnn([C@@H]5CCCC(NS(C)(=O)=O)C5)c4)cn3)c2)cn1.
What is the InChIKey of N-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide?
The InChIKey is DKQQDDPJFKYYTK-OZAIVSQSSA-N. The full InChI is InChI=1S/C24H27N7O2S/c1-30-15-20(13-27-30)17-5-3-6-18(9-17)24-25-11-19(12-26-24)21-14-28-31(16-21)23-8-4-7-22(10-23)29-34(2,32)33/h3,5-6,9,11-16,22-23,29H,4,7-8,10H2,1-2H3/t22?,23-/m1/s1.
What are the key properties of N-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide?
N-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide has a molecular weight of 477.59 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 118234093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).