(3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid

C28H29N5O5 — CID 175555103

About (3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid

(3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid (PubChem CID 175555103) has the molecular formula C28H29N5O5 and a molecular weight of 515.57 g/mol. Its IUPAC name is (3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid.

Molecular Properties

• Compound Name: (3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
• PubChem CID: 175555103
• Molecular Formula: C28H29N5O5
• Molecular Weight: 515.57 g/mol
• Exact Mass: 515.22
• IUPAC Name: (3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
• SMILES: O=C(O)C[C@H](c1cncc(C2OCCO2)c1)n1ncc2cc(OCCc3ccc4c(n3)CCCN4)ccc21
• InChI: InChI=1S/C28H29N5O5/c34-27(35)14-26(18-12-20(16-29-15-18)28-37-10-11-38-28)33-25-6-4-22(13-19(25)17-31-33)36-9-7-21-3-5-23-24(32-21)2-1-8-30-23/h3-6,12-13,15-17,26,28,30H,1-2,7-11,14H2,(H,34,35)/t26-/m1/s1
• InChIKey: WPUSTTZTGIIWFT-AREMUKBSSA-N
• XLogP: 3.92
• TPSA: 120.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.57
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?

The IUPAC name of (3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid (CID 175555103) is (3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid.

What is the SMILES notation for (3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?

The canonical SMILES for (3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid is O=C(O)C[C@H](c1cncc(C2OCCO2)c1)n1ncc2cc(OCCc3ccc4c(n3)CCCN4)ccc21.

What is the InChIKey of (3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?

The InChIKey is WPUSTTZTGIIWFT-AREMUKBSSA-N. The full InChI is InChI=1S/C28H29N5O5/c34-27(35)14-26(18-12-20(16-29-15-18)28-37-10-11-38-28)33-25-6-4-22(13-19(25)17-31-33)36-9-7-21-3-5-23-24(32-21)2-1-8-30-23/h3-6,12-13,15-17,26,28,30H,1-2,7-11,14H2,(H,34,35)/t26-/m1/s1.

What are the key properties of (3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?

(3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid has a molecular weight of 515.57 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[5-(1,3-dioxolan-2-yl)-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 175555103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).