N-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine

C24H21F3N6O2S — CID 164615620

IUPACN-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine
SMILESCc1cnc(Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cnn(C)c1
InChIInChI=1S/C24H21F3N6O2S/c1-15-12-28-23(31-22(15)17-13-29-32(2)14-17)30-19-5-8-21-16(11-19)9-10-33(21)36(34,35)20-6-3-18(4-7-20)24(25,26)27/h3-8,11-14H,9-10H2,1-2H3,(H,28,30,31)
InChIKeyDDJOYDRGTDGUIE-UHFFFAOYSA-N
MW514.53 g/mol
LogP4.70
Rot. Bonds5

About N-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine

N-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine (PubChem CID 164615620) has the molecular formula C24H21F3N6O2S and a molecular weight of 514.53 g/mol. Its IUPAC name is N-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound NameN-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine
PubChem CID164615620
Molecular FormulaC24H21F3N6O2S
Molecular Weight514.53 g/mol
Exact Mass514.14
IUPAC NameN-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine
SMILESCc1cnc(Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cnn(C)c1
InChIInChI=1S/C24H21F3N6O2S/c1-15-12-28-23(31-22(15)17-13-29-32(2)14-17)30-19-5-8-21-16(11-19)9-10-33(21)36(34,35)20-6-3-18(4-7-20)24(25,26)27/h3-8,11-14H,9-10H2,1-2H3,(H,28,30,31)
InChIKeyDDJOYDRGTDGUIE-UHFFFAOYSA-N
XLogP4.70
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine?
The IUPAC name of N-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine (CID 164615620) is N-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine.
What is the SMILES notation for N-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine?
The canonical SMILES for N-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine is Cc1cnc(Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cnn(C)c1.
What is the InChIKey of N-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine?
The InChIKey is DDJOYDRGTDGUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2S/c1-15-12-28-23(31-22(15)17-13-29-32(2)14-17)30-19-5-8-21-16(11-19)9-10-33(21)36(34,35)20-6-3-18(4-7-20)24(25,26)27/h3-8,11-14H,9-10H2,1-2H3,(H,28,30,31).
What are the key properties of N-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine?
N-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine has a molecular weight of 514.53 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 164615620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).