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

C26H25F3N6O2S — CID 164628254

IUPACN-[5-methyl-4-(1-propylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine
SMILESCCCn1cc(-c2nc(Nc3ccc4c(c3)CCN4S(=O)(=O)c3ccc(C(F)(F)F)cc3)ncc2C)cn1
InChIInChI=1S/C26H25F3N6O2S/c1-3-11-34-16-19(15-31-34)24-17(2)14-30-25(33-24)32-21-6-9-23-18(13-21)10-12-35(23)38(36,37)22-7-4-20(5-8-22)26(27,28)29/h4-9,13-16H,3,10-12H2,1-2H3,(H,30,32,33)
InChIKeyYJPMAGFUNAYSMN-UHFFFAOYSA-N
MW542.59 g/mol
LogP5.57
Rot. Bonds7

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

N-[5-methyl-4-(1-propylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine (PubChem CID 164628254) has the molecular formula C26H25F3N6O2S and a molecular weight of 542.59 g/mol. Its IUPAC name is N-[5-methyl-4-(1-propylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound NameN-[5-methyl-4-(1-propylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine
PubChem CID164628254
Molecular FormulaC26H25F3N6O2S
Molecular Weight542.59 g/mol
Exact Mass542.17
IUPAC NameN-[5-methyl-4-(1-propylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine
SMILESCCCn1cc(-c2nc(Nc3ccc4c(c3)CCN4S(=O)(=O)c3ccc(C(F)(F)F)cc3)ncc2C)cn1
InChIInChI=1S/C26H25F3N6O2S/c1-3-11-34-16-19(15-31-34)24-17(2)14-30-25(33-24)32-21-6-9-23-18(13-21)10-12-35(23)38(36,37)22-7-4-20(5-8-22)26(27,28)29/h4-9,13-16H,3,10-12H2,1-2H3,(H,30,32,33)
InChIKeyYJPMAGFUNAYSMN-UHFFFAOYSA-N
XLogP5.57
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.59
LogP ≤ 55.57
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-propylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine?
The IUPAC name of N-[5-methyl-4-(1-propylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine (CID 164628254) is N-[5-methyl-4-(1-propylpyrazol-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-propylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine?
The canonical SMILES for N-[5-methyl-4-(1-propylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine is CCCn1cc(-c2nc(Nc3ccc4c(c3)CCN4S(=O)(=O)c3ccc(C(F)(F)F)cc3)ncc2C)cn1.
What is the InChIKey of N-[5-methyl-4-(1-propylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine?
The InChIKey is YJPMAGFUNAYSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2S/c1-3-11-34-16-19(15-31-34)24-17(2)14-30-25(33-24)32-21-6-9-23-18(13-21)10-12-35(23)38(36,37)22-7-4-20(5-8-22)26(27,28)29/h4-9,13-16H,3,10-12H2,1-2H3,(H,30,32,33).
What are the key properties of N-[5-methyl-4-(1-propylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine?
N-[5-methyl-4-(1-propylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine has a molecular weight of 542.59 g/mol, XLogP of 5.57, 7 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-propylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 164628254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).