1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone

C22H27N7OS — CID 90288026

IUPAC1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CC1
InChIInChI=1S/C22H27N7OS/c1-14(30)29-10-8-16(9-11-29)24-17-12-19-18(23-13-17)6-7-20(25-19)26-22-28-27-21(31-22)15-4-2-3-5-15/h6-7,12-13,15-16,24H,2-5,8-11H2,1H3,(H,25,26,28)
InChIKeyJUVKDHSPWPINER-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.31
Rot. Bonds5

About 1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone

1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone (PubChem CID 90288026) has the molecular formula C22H27N7OS and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone
PubChem CID90288026
Molecular FormulaC22H27N7OS
Molecular Weight437.57 g/mol
Exact Mass437.20
IUPAC Name1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CC1
InChIInChI=1S/C22H27N7OS/c1-14(30)29-10-8-16(9-11-29)24-17-12-19-18(23-13-17)6-7-20(25-19)26-22-28-27-21(31-22)15-4-2-3-5-15/h6-7,12-13,15-16,24H,2-5,8-11H2,1H3,(H,25,26,28)
InChIKeyJUVKDHSPWPINER-UHFFFAOYSA-N
XLogP4.31
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone 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 1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone (CID 90288026) is 1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CC1.
What is the InChIKey of 1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is JUVKDHSPWPINER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7OS/c1-14(30)29-10-8-16(9-11-29)24-17-12-19-18(23-13-17)6-7-20(25-19)26-22-28-27-21(31-22)15-4-2-3-5-15/h6-7,12-13,15-16,24H,2-5,8-11H2,1H3,(H,25,26,28).
What are the key properties of 1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 437.57 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 90288026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).