5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine

C24H29ClN10O2S — CID 155688736

IUPAC5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine
SMILESCNCc1ccc(-n2cc(-c3nc(NC4CCN(S(=O)(=O)c5cn(C)cn5)CC4)ncc3Cl)cn2)c(C)n1
InChIInChI=1S/C24H29ClN10O2S/c1-16-21(5-4-19(30-16)11-26-2)35-13-17(10-29-35)23-20(25)12-27-24(32-23)31-18-6-8-34(9-7-18)38(36,37)22-14-33(3)15-28-22/h4-5,10,12-15,18,26H,6-9,11H2,1-3H3,(H,27,31,32)
InChIKeyMCHGTBCSYASJHG-UHFFFAOYSA-N
MW557.08 g/mol
LogP2.40
Rot. Bonds8

About 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine

5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 155688736) has the molecular formula C24H29ClN10O2S and a molecular weight of 557.08 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine
PubChem CID155688736
Molecular FormulaC24H29ClN10O2S
Molecular Weight557.08 g/mol
Exact Mass556.19
IUPAC Name5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine
SMILESCNCc1ccc(-n2cc(-c3nc(NC4CCN(S(=O)(=O)c5cn(C)cn5)CC4)ncc3Cl)cn2)c(C)n1
InChIInChI=1S/C24H29ClN10O2S/c1-16-21(5-4-19(30-16)11-26-2)35-13-17(10-29-35)23-20(25)12-27-24(32-23)31-18-6-8-34(9-7-18)38(36,37)22-14-33(3)15-28-22/h4-5,10,12-15,18,26H,6-9,11H2,1-3H3,(H,27,31,32)
InChIKeyMCHGTBCSYASJHG-UHFFFAOYSA-N
XLogP2.40
TPSA135.75 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.08
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine (CID 155688736) is 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine is CNCc1ccc(-n2cc(-c3nc(NC4CCN(S(=O)(=O)c5cn(C)cn5)CC4)ncc3Cl)cn2)c(C)n1.
What is the InChIKey of 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is MCHGTBCSYASJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN10O2S/c1-16-21(5-4-19(30-16)11-26-2)35-13-17(10-29-35)23-20(25)12-27-24(32-23)31-18-6-8-34(9-7-18)38(36,37)22-14-33(3)15-28-22/h4-5,10,12-15,18,26H,6-9,11H2,1-3H3,(H,27,31,32).
What are the key properties of 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine?
5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 557.08 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 155688736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).