5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine

C26H31F3N8S — CID 90288248

IUPAC5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCN1CC(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)=CN1C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C26H31F3N8S/c1-35-14-19(15-37(35)20-8-10-36(11-9-20)16-26(27,28)29)18-12-22-21(30-13-18)6-7-23(31-22)32-25-34-33-24(38-25)17-4-2-3-5-17/h6-7,12-13,15,17,20H,2-5,8-11,14,16H2,1H3,(H,31,32,34)
InChIKeyODQDUVFOUBQJKH-UHFFFAOYSA-N
MW544.65 g/mol
LogP5.41
Rot. Bonds6

About 5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine

5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 90288248) has the molecular formula C26H31F3N8S and a molecular weight of 544.65 g/mol. Its IUPAC name is 5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID90288248
Molecular FormulaC26H31F3N8S
Molecular Weight544.65 g/mol
Exact Mass544.23
IUPAC Name5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCN1CC(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)=CN1C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C26H31F3N8S/c1-35-14-19(15-37(35)20-8-10-36(11-9-20)16-26(27,28)29)18-12-22-21(30-13-18)6-7-23(31-22)32-25-34-33-24(38-25)17-4-2-3-5-17/h6-7,12-13,15,17,20H,2-5,8-11,14,16H2,1H3,(H,31,32,34)
InChIKeyODQDUVFOUBQJKH-UHFFFAOYSA-N
XLogP5.41
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (CID 90288248) is 5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is CN1CC(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)=CN1C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ODQDUVFOUBQJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N8S/c1-35-14-19(15-37(35)20-8-10-36(11-9-20)16-26(27,28)29)18-12-22-21(30-13-18)6-7-23(31-22)32-25-34-33-24(38-25)17-4-2-3-5-17/h6-7,12-13,15,17,20H,2-5,8-11,14,16H2,1H3,(H,31,32,34).
What are the key properties of 5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 544.65 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[7-[2-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90288248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).