3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C19H18F3N7O2S — CID 59298924

IUPAC3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cn2c(Nc3cc(C)[nH]n3)nc(-c3cccc(S(=O)(=O)NCC(F)(F)F)c3)cc2n1
InChIInChI=1S/C19H18F3N7O2S/c1-11-6-16(28-27-11)26-18-25-15(8-17-24-12(2)9-29(17)18)13-4-3-5-14(7-13)32(30,31)23-10-19(20,21)22/h3-9,23H,10H2,1-2H3,(H2,25,26,27,28)
InChIKeyDUAAXWZQSZNRJY-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.32
Rot. Bonds6

About 3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 59298924) has the molecular formula C19H18F3N7O2S and a molecular weight of 465.46 g/mol. Its IUPAC name is 3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID59298924
Molecular FormulaC19H18F3N7O2S
Molecular Weight465.46 g/mol
Exact Mass465.12
IUPAC Name3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cn2c(Nc3cc(C)[nH]n3)nc(-c3cccc(S(=O)(=O)NCC(F)(F)F)c3)cc2n1
InChIInChI=1S/C19H18F3N7O2S/c1-11-6-16(28-27-11)26-18-25-15(8-17-24-12(2)9-29(17)18)13-4-3-5-14(7-13)32(30,31)23-10-19(20,21)22/h3-9,23H,10H2,1-2H3,(H2,25,26,27,28)
InChIKeyDUAAXWZQSZNRJY-UHFFFAOYSA-N
XLogP3.32
TPSA117.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 59298924) is 3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1cn2c(Nc3cc(C)[nH]n3)nc(-c3cccc(S(=O)(=O)NCC(F)(F)F)c3)cc2n1.
What is the InChIKey of 3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is DUAAXWZQSZNRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O2S/c1-11-6-16(28-27-11)26-18-25-15(8-17-24-12(2)9-29(17)18)13-4-3-5-14(7-13)32(30,31)23-10-19(20,21)22/h3-9,23H,10H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 465.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 59298924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).