N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

C25H32N6S — CID 135295398

About N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 135295398) has the molecular formula C25H32N6S and a molecular weight of 448.64 g/mol. Its IUPAC name is N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
• PubChem CID: 135295398
• Molecular Formula: C25H32N6S
• Molecular Weight: 448.64 g/mol
• Exact Mass: 448.24
• IUPAC Name: N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
• SMILES: CCCN(CCC)CCCC1=CC(Nc2nc3ccc(-c4ccncc4)nc3s2)=NCC1
• InChI: InChI=1S/C25H32N6S/c1-3-15-31(16-4-2)17-5-6-19-9-14-27-23(18-19)30-25-29-22-8-7-21(28-24(22)32-25)20-10-12-26-13-11-20/h7-8,10-13,18H,3-6,9,14-17H2,1-2H3,(H,27,29,30)
• InChIKey: JBFIBKWWOCFTHG-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 66.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.64
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The IUPAC name of N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 135295398) is N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

What is the SMILES notation for N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The canonical SMILES for N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is CCCN(CCC)CCCC1=CC(Nc2nc3ccc(-c4ccncc4)nc3s2)=NCC1.

What is the InChIKey of N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The InChIKey is JBFIBKWWOCFTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6S/c1-3-15-31(16-4-2)17-5-6-19-9-14-27-23(18-19)30-25-29-22-8-7-21(28-24(22)32-25)20-10-12-26-13-11-20/h7-8,10-13,18H,3-6,9,14-17H2,1-2H3,(H,27,29,30).

What are the key properties of N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?

N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 448.64 g/mol, XLogP of 5.80, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(dipropylamino)propyl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 135295398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).