5-cyclopentyl-N-[7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine

C26H30F2N8S — CID 118503993

IUPAC5-cyclopentyl-N-[7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESFC1(F)CCN(CCCn2cc(-c3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)cn2)CC1
InChIInChI=1S/C26H30F2N8S/c27-26(28)8-12-35(13-9-26)10-3-11-36-17-20(16-30-36)19-14-22-21(29-15-19)6-7-23(31-22)32-25-34-33-24(37-25)18-4-1-2-5-18/h6-7,14-18H,1-5,8-13H2,(H,31,32,34)
InChIKeyVHNIFBLRTQKBTE-UHFFFAOYSA-N
MW524.65 g/mol
LogP5.87
Rot. Bonds8

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

5-cyclopentyl-N-[7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 118503993) has the molecular formula C26H30F2N8S and a molecular weight of 524.65 g/mol. Its IUPAC name is 5-cyclopentyl-N-[7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-[7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID118503993
Molecular FormulaC26H30F2N8S
Molecular Weight524.65 g/mol
Exact Mass524.23
IUPAC Name5-cyclopentyl-N-[7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESFC1(F)CCN(CCCn2cc(-c3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)cn2)CC1
InChIInChI=1S/C26H30F2N8S/c27-26(28)8-12-35(13-9-26)10-3-11-36-17-20(16-30-36)19-14-22-21(29-15-19)6-7-23(31-22)32-25-34-33-24(37-25)18-4-1-2-5-18/h6-7,14-18H,1-5,8-13H2,(H,31,32,34)
InChIKeyVHNIFBLRTQKBTE-UHFFFAOYSA-N
XLogP5.87
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.65
LogP ≤ 55.87
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-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopentyl-N-[7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (CID 118503993) is 5-cyclopentyl-N-[7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]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-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopentyl-N-[7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is FC1(F)CCN(CCCn2cc(-c3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)cn2)CC1.
What is the InChIKey of 5-cyclopentyl-N-[7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VHNIFBLRTQKBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N8S/c27-26(28)8-12-35(13-9-26)10-3-11-36-17-20(16-30-36)19-14-22-21(29-15-19)6-7-23(31-22)32-25-34-33-24(37-25)18-4-1-2-5-18/h6-7,14-18H,1-5,8-13H2,(H,31,32,34).
What are the key properties of 5-cyclopentyl-N-[7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
5-cyclopentyl-N-[7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 524.65 g/mol, XLogP of 5.87, 8 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-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 118503993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).