N-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine

C26H23F3N6O2S — CID 164623982

IUPACN-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-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(C2CC2)c1
InChIInChI=1S/C26H23F3N6O2S/c1-16-13-30-25(33-24(16)18-14-31-34(15-18)21-5-6-21)32-20-4-9-23-17(12-20)10-11-35(23)38(36,37)22-7-2-19(3-8-22)26(27,28)29/h2-4,7-9,12-15,21H,5-6,10-11H2,1H3,(H,30,32,33)
InChIKeyNZYYXSVYEPPLFL-UHFFFAOYSA-N
MW540.57 g/mol
LogP5.50
Rot. Bonds6

About N-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine

N-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine (PubChem CID 164623982) has the molecular formula C26H23F3N6O2S and a molecular weight of 540.57 g/mol. Its IUPAC name is N-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound NameN-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine
PubChem CID164623982
Molecular FormulaC26H23F3N6O2S
Molecular Weight540.57 g/mol
Exact Mass540.16
IUPAC NameN-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-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(C2CC2)c1
InChIInChI=1S/C26H23F3N6O2S/c1-16-13-30-25(33-24(16)18-14-31-34(15-18)21-5-6-21)32-20-4-9-23-17(12-20)10-11-35(23)38(36,37)22-7-2-19(3-8-22)26(27,28)29/h2-4,7-9,12-15,21H,5-6,10-11H2,1H3,(H,30,32,33)
InChIKeyNZYYXSVYEPPLFL-UHFFFAOYSA-N
XLogP5.50
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.57
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine?
The IUPAC name of N-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine (CID 164623982) is N-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine.
What is the SMILES notation for N-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine?
The canonical SMILES for N-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-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(C2CC2)c1.
What is the InChIKey of N-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine?
The InChIKey is NZYYXSVYEPPLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O2S/c1-16-13-30-25(33-24(16)18-14-31-34(15-18)21-5-6-21)32-20-4-9-23-17(12-20)10-11-35(23)38(36,37)22-7-2-19(3-8-22)26(27,28)29/h2-4,7-9,12-15,21H,5-6,10-11H2,1H3,(H,30,32,33).
What are the key properties of N-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine?
N-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine has a molecular weight of 540.57 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 164623982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).