4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine

C29H30FN7OS — CID 162743335

About 4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine

4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine (PubChem CID 162743335) has the molecular formula C29H30FN7OS and a molecular weight of 543.67 g/mol. Its IUPAC name is 4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine
• PubChem CID: 162743335
• Molecular Formula: C29H30FN7OS
• Molecular Weight: 543.67 g/mol
• Exact Mass: 543.22
• IUPAC Name: 4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine
• SMILES: Nc1nc2c(N3CCc4c(N5CC6CCC(C5)N6)cc(Oc5cccnc5C5CC5)nc4C3)ccc(F)c2s1
• InChI: InChI=1S/C29H30FN7OS/c30-20-7-8-22(27-28(20)39-29(31)35-27)36-11-9-19-21(15-36)34-25(38-24-2-1-10-32-26(24)16-3-4-16)12-23(19)37-13-17-5-6-18(14-37)33-17/h1-2,7-8,10,12,16-18,33H,3-6,9,11,13-15H2,(H2,31,35)
• InChIKey: PDZVLTMIWYQHLN-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 92.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.67
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine?

The IUPAC name of 4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine (CID 162743335) is 4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine.

What is the SMILES notation for 4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine?

The canonical SMILES for 4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine is Nc1nc2c(N3CCc4c(N5CC6CCC(C5)N6)cc(Oc5cccnc5C5CC5)nc4C3)ccc(F)c2s1.

What is the InChIKey of 4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine?

The InChIKey is PDZVLTMIWYQHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN7OS/c30-20-7-8-22(27-28(20)39-29(31)35-27)36-11-9-19-21(15-36)34-25(38-24-2-1-10-32-26(24)16-3-4-16)12-23(19)37-13-17-5-6-18(14-37)33-17/h1-2,7-8,10,12,16-18,33H,3-6,9,11,13-15H2,(H2,31,35).

What are the key properties of 4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine?

4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 543.67 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(2-cyclopropyl-3-pyridinyl)oxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162743335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).