3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine

C19H18N8S — CID 118497528

IUPAC3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine
SMILESNc1nc2cc(Nc3cccnn3)cnc2cc1-c1nnc(C2CCCC2)s1
InChIInChI=1S/C19H18N8S/c20-17-13(19-27-26-18(28-19)11-4-1-2-5-11)9-14-15(24-17)8-12(10-21-14)23-16-6-3-7-22-25-16/h3,6-11H,1-2,4-5H2,(H2,20,24)(H,23,25)
InChIKeyYCUQWSYHARHUFR-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.92
Rot. Bonds4

About 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine

3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine (PubChem CID 118497528) has the molecular formula C19H18N8S and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine
PubChem CID118497528
Molecular FormulaC19H18N8S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine
SMILESNc1nc2cc(Nc3cccnn3)cnc2cc1-c1nnc(C2CCCC2)s1
InChIInChI=1S/C19H18N8S/c20-17-13(19-27-26-18(28-19)11-4-1-2-5-11)9-14-15(24-17)8-12(10-21-14)23-16-6-3-7-22-25-16/h3,6-11H,1-2,4-5H2,(H2,20,24)(H,23,25)
InChIKeyYCUQWSYHARHUFR-UHFFFAOYSA-N
XLogP3.92
TPSA115.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine?
The IUPAC name of 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine (CID 118497528) is 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine.
What is the SMILES notation for 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine?
The canonical SMILES for 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine is Nc1nc2cc(Nc3cccnn3)cnc2cc1-c1nnc(C2CCCC2)s1.
What is the InChIKey of 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine?
The InChIKey is YCUQWSYHARHUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8S/c20-17-13(19-27-26-18(28-19)11-4-1-2-5-11)9-14-15(24-17)8-12(10-21-14)23-16-6-3-7-22-25-16/h3,6-11H,1-2,4-5H2,(H2,20,24)(H,23,25).
What are the key properties of 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine?
3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine has a molecular weight of 390.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridazin-3-yl-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 118497528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).