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

C26H32F2N8S — CID 90288252

IUPAC5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-methyl-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCN1CC(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)=CN1CCCN1CCC(F)(F)C1
InChIInChI=1S/C26H32F2N8S/c1-34-15-20(16-36(34)11-4-10-35-12-9-26(27,28)17-35)19-13-22-21(29-14-19)7-8-23(30-22)31-25-33-32-24(37-25)18-5-2-3-6-18/h7-8,13-14,16,18H,2-6,9-12,15,17H2,1H3,(H,30,31,33)
InChIKeyCOWDMVJNUWOZLT-UHFFFAOYSA-N
MW526.66 g/mol
LogP5.12
Rot. Bonds8

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

5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-methyl-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 90288252) has the molecular formula C26H32F2N8S and a molecular weight of 526.66 g/mol. Its IUPAC name is 5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-methyl-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-methyl-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID90288252
Molecular FormulaC26H32F2N8S
Molecular Weight526.66 g/mol
Exact Mass526.24
IUPAC Name5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-methyl-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCN1CC(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)=CN1CCCN1CCC(F)(F)C1
InChIInChI=1S/C26H32F2N8S/c1-34-15-20(16-36(34)11-4-10-35-12-9-26(27,28)17-35)19-13-22-21(29-14-19)7-8-23(30-22)31-25-33-32-24(37-25)18-5-2-3-6-18/h7-8,13-14,16,18H,2-6,9-12,15,17H2,1H3,(H,30,31,33)
InChIKeyCOWDMVJNUWOZLT-UHFFFAOYSA-N
XLogP5.12
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.66
LogP ≤ 55.12
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-(3,3-difluoropyrrolidin-1-yl)propyl]-2-methyl-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-methyl-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (CID 90288252) is 5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-methyl-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-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-methyl-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-methyl-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is CN1CC(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)=CN1CCCN1CCC(F)(F)C1.
What is the InChIKey of 5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-methyl-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is COWDMVJNUWOZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N8S/c1-34-15-20(16-36(34)11-4-10-35-12-9-26(27,28)17-35)19-13-22-21(29-14-19)7-8-23(30-22)31-25-33-32-24(37-25)18-5-2-3-6-18/h7-8,13-14,16,18H,2-6,9-12,15,17H2,1H3,(H,30,31,33).
What are the key properties of 5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-methyl-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-methyl-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 526.66 g/mol, XLogP of 5.12, 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-(3,3-difluoropyrrolidin-1-yl)propyl]-2-methyl-3H-pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90288252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).