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

C26H29F3N8S — CID 118503988

IUPAC5-cyclopentyl-N-[7-[1-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)CN1CCCC(Cn2cc(-c3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)cn2)C1
InChIInChI=1S/C26H29F3N8S/c27-26(28,29)16-36-9-3-4-17(13-36)14-37-15-20(12-31-37)19-10-22-21(30-11-19)7-8-23(32-22)33-25-35-34-24(38-25)18-5-1-2-6-18/h7-8,10-12,15,17-18H,1-6,9,13-14,16H2,(H,32,33,35)
InChIKeyAAXWOVPHDIFXPM-UHFFFAOYSA-N
MW542.64 g/mol
LogP6.02
Rot. Bonds7

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

5-cyclopentyl-N-[7-[1-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 118503988) has the molecular formula C26H29F3N8S and a molecular weight of 542.64 g/mol. Its IUPAC name is 5-cyclopentyl-N-[7-[1-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-[7-[1-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID118503988
Molecular FormulaC26H29F3N8S
Molecular Weight542.64 g/mol
Exact Mass542.22
IUPAC Name5-cyclopentyl-N-[7-[1-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)CN1CCCC(Cn2cc(-c3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)cn2)C1
InChIInChI=1S/C26H29F3N8S/c27-26(28,29)16-36-9-3-4-17(13-36)14-37-15-20(12-31-37)19-10-22-21(30-11-19)7-8-23(32-22)33-25-35-34-24(38-25)18-5-1-2-6-18/h7-8,10-12,15,17-18H,1-6,9,13-14,16H2,(H,32,33,35)
InChIKeyAAXWOVPHDIFXPM-UHFFFAOYSA-N
XLogP6.02
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.64
LogP ≤ 56.02
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-[1-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopentyl-N-[7-[1-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (CID 118503988) is 5-cyclopentyl-N-[7-[1-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopentyl-N-[7-[1-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopentyl-N-[7-[1-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is FC(F)(F)CN1CCCC(Cn2cc(-c3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)cn2)C1.
What is the InChIKey of 5-cyclopentyl-N-[7-[1-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is AAXWOVPHDIFXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N8S/c27-26(28,29)16-36-9-3-4-17(13-36)14-37-15-20(12-31-37)19-10-22-21(30-11-19)7-8-23(32-22)33-25-35-34-24(38-25)18-5-1-2-6-18/h7-8,10-12,15,17-18H,1-6,9,13-14,16H2,(H,32,33,35).
What are the key properties of 5-cyclopentyl-N-[7-[1-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
5-cyclopentyl-N-[7-[1-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 542.64 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[7-[1-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 118503988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).