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

C25H30N8S — CID 90288273

IUPAC5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESc1nc2ccc(Nc3nnc(C4CCCC4)s3)nc2cc1-c1cnn(CCCN2CCCC2)c1
InChIInChI=1S/C25H30N8S/c1-2-7-18(6-1)24-30-31-25(34-24)29-23-9-8-21-22(28-23)14-19(15-26-21)20-16-27-33(17-20)13-5-12-32-10-3-4-11-32/h8-9,14-18H,1-7,10-13H2,(H,28,29,31)
InChIKeySXYCCQARWYSWSG-UHFFFAOYSA-N
MW474.64 g/mol
LogP5.23
Rot. Bonds8

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

5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 90288273) has the molecular formula C25H30N8S and a molecular weight of 474.64 g/mol. Its IUPAC name is 5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID90288273
Molecular FormulaC25H30N8S
Molecular Weight474.64 g/mol
Exact Mass474.23
IUPAC Name5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESc1nc2ccc(Nc3nnc(C4CCCC4)s3)nc2cc1-c1cnn(CCCN2CCCC2)c1
InChIInChI=1S/C25H30N8S/c1-2-7-18(6-1)24-30-31-25(34-24)29-23-9-8-21-22(28-23)14-19(15-26-21)20-16-27-33(17-20)13-5-12-32-10-3-4-11-32/h8-9,14-18H,1-7,10-13H2,(H,28,29,31)
InChIKeySXYCCQARWYSWSG-UHFFFAOYSA-N
XLogP5.23
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.64
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (CID 90288273) is 5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)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-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is c1nc2ccc(Nc3nnc(C4CCCC4)s3)nc2cc1-c1cnn(CCCN2CCCC2)c1.
What is the InChIKey of 5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SXYCCQARWYSWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8S/c1-2-7-18(6-1)24-30-31-25(34-24)29-23-9-8-21-22(28-23)14-19(15-26-21)20-16-27-33(17-20)13-5-12-32-10-3-4-11-32/h8-9,14-18H,1-7,10-13H2,(H,28,29,31).
What are the key properties of 5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 474.64 g/mol, XLogP of 5.23, 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-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90288273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).