(5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine

C33H18F3N7O — CID 56654138

About (5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine

(5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine (PubChem CID 56654138) has the molecular formula C33H18F3N7O and a molecular weight of 585.55 g/mol. Its IUPAC name is (5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine.

Molecular Properties

• Compound Name: (5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine
• PubChem CID: 56654138
• Molecular Formula: C33H18F3N7O
• Molecular Weight: 585.55 g/mol
• Exact Mass: 585.15
• IUPAC Name: (5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine
• SMILES: NC1=N[C@@]2(c3cc(-c4cccnc4F)ccc3Oc3cnc(-c4ccc(-c5ccnc(F)c5)nc4F)cc32)c2cnccc21
• InChI: InChI=1S/C33H18F3N7O/c34-29-13-18(7-11-39-29)25-5-4-21(31(36)42-25)26-14-23-28(16-41-26)44-27-6-3-17(19-2-1-9-40-30(19)35)12-22(27)33(23)24-15-38-10-8-20(24)32(37)43-33/h1-16H,(H2,37,43)/t33-/m1/s1
• InChIKey: WGTLVAJTUGWMNO-MGBGTMOVSA-N
• XLogP: 6.20
• TPSA: 112.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.55
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine?

The IUPAC name of (5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine (CID 56654138) is (5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine.

What is the SMILES notation for (5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine?

The canonical SMILES for (5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine is NC1=N[C@@]2(c3cc(-c4cccnc4F)ccc3Oc3cnc(-c4ccc(-c5ccnc(F)c5)nc4F)cc32)c2cnccc21.

What is the InChIKey of (5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine?

The InChIKey is WGTLVAJTUGWMNO-MGBGTMOVSA-N. The full InChI is InChI=1S/C33H18F3N7O/c34-29-13-18(7-11-39-29)25-5-4-21(31(36)42-25)26-14-23-28(16-41-26)44-27-6-3-17(19-2-1-9-40-30(19)35)12-22(27)33(23)24-15-38-10-8-20(24)32(37)43-33/h1-16H,(H2,37,43)/t33-/m1/s1.

What are the key properties of (5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine?

(5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine has a molecular weight of 585.55 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine is sourced from PubChem (CID 56654138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).