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

C26H23N7S — CID 90287816

IUPAC2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-phenyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine
SMILESc1ccc(-c2cncc(Nc3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)c2)cc1
InChIInChI=1S/C26H23N7S/c1-2-6-17(7-3-1)19-12-20(15-27-14-19)29-21-13-23-22(28-16-21)10-11-24(30-23)31-26-33-32-25(34-26)18-8-4-5-9-18/h1-3,6-7,10-16,18,29H,4-5,8-9H2,(H,30,31,33)
InChIKeyNYUBKHUQAJKHJV-UHFFFAOYSA-N
MW465.59 g/mol
LogP6.69
Rot. Bonds6

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

2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-phenyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine (PubChem CID 90287816) has the molecular formula C26H23N7S and a molecular weight of 465.59 g/mol. Its IUPAC name is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-phenyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-phenyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine
PubChem CID90287816
Molecular FormulaC26H23N7S
Molecular Weight465.59 g/mol
Exact Mass465.17
IUPAC Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-phenyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine
SMILESc1ccc(-c2cncc(Nc3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)c2)cc1
InChIInChI=1S/C26H23N7S/c1-2-6-17(7-3-1)19-12-20(15-27-14-19)29-21-13-23-22(28-16-21)10-11-24(30-23)31-26-33-32-25(34-26)18-8-4-5-9-18/h1-3,6-7,10-16,18,29H,4-5,8-9H2,(H,30,31,33)
InChIKeyNYUBKHUQAJKHJV-UHFFFAOYSA-N
XLogP6.69
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-phenyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine?
The IUPAC name of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-phenyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine (CID 90287816) is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-phenyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine.
What is the SMILES notation for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-phenyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine?
The canonical SMILES for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-phenyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine is c1ccc(-c2cncc(Nc3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)c2)cc1.
What is the InChIKey of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-phenyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine?
The InChIKey is NYUBKHUQAJKHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7S/c1-2-6-17(7-3-1)19-12-20(15-27-14-19)29-21-13-23-22(28-16-21)10-11-24(30-23)31-26-33-32-25(34-26)18-8-4-5-9-18/h1-3,6-7,10-16,18,29H,4-5,8-9H2,(H,30,31,33).
What are the key properties of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-phenyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine?
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-phenyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine has a molecular weight of 465.59 g/mol, XLogP of 6.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-phenyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 90287816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).