7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine

C23H20ClN9S — CID 118503889

About 7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine

7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine (PubChem CID 118503889) has the molecular formula C23H20ClN9S and a molecular weight of 490.00 g/mol. Its IUPAC name is 7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine.

Molecular Properties

• Compound Name: 7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine
• PubChem CID: 118503889
• Molecular Formula: C23H20ClN9S
• Molecular Weight: 490.00 g/mol
• Exact Mass: 489.13
• IUPAC Name: 7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine
• SMILES: Clc1cc(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)cnc1-n1cccn1
• InChI: InChI=1S/C23H20ClN9S/c24-17-10-15(13-26-21(17)33-9-3-8-27-33)28-16-11-19-18(25-12-16)6-7-20(29-19)30-23-32-31-22(34-23)14-4-1-2-5-14/h3,6-14,28H,1-2,4-5H2,(H,29,30,32)
• InChIKey: QEUIRKMUKVSKBW-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 106.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.00
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine?

The IUPAC name of 7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine (CID 118503889) is 7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine.

What is the SMILES notation for 7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine?

The canonical SMILES for 7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine is Clc1cc(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)cnc1-n1cccn1.

What is the InChIKey of 7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine?

The InChIKey is QEUIRKMUKVSKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN9S/c24-17-10-15(13-26-21(17)33-9-3-8-27-33)28-16-11-19-18(25-12-16)6-7-20(29-19)30-23-32-31-22(34-23)14-4-1-2-5-14/h3,6-14,28H,1-2,4-5H2,(H,29,30,32).

What are the key properties of 7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine?

7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine has a molecular weight of 490.00 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 118503889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).