(1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C25H25FN6OS — CID 167671809

About (1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 167671809) has the molecular formula C25H25FN6OS and a molecular weight of 476.58 g/mol. Its IUPAC name is (1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 167671809
• Molecular Formula: C25H25FN6OS
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.18
• IUPAC Name: (1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: COc1cnccc1Sc1cnc2c(n1)CC(N1CCC3(CC1)Cc1ccc(F)cc1[C@H]3N)=N2
• InChI: InChI=1S/C25H25FN6OS/c1-33-19-13-28-7-4-20(19)34-22-14-29-24-18(30-22)11-21(31-24)32-8-5-25(6-9-32)12-15-2-3-16(26)10-17(15)23(25)27/h2-4,7,10,13-14,23H,5-6,8-9,11-12,27H2,1H3/t23-/m1/s1
• InChIKey: UFOIYDKMSZKJPV-HSZRJFAPSA-N
• XLogP: 4.09
• TPSA: 89.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of (1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 167671809) is (1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

What is the SMILES notation for (1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The canonical SMILES for (1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is COc1cnccc1Sc1cnc2c(n1)CC(N1CCC3(CC1)Cc1ccc(F)cc1[C@H]3N)=N2.

What is the InChIKey of (1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is UFOIYDKMSZKJPV-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25FN6OS/c1-33-19-13-28-7-4-20(19)34-22-14-29-24-18(30-22)11-21(31-24)32-8-5-25(6-9-32)12-15-2-3-16(26)10-17(15)23(25)27/h2-4,7,10,13-14,23H,5-6,8-9,11-12,27H2,1H3/t23-/m1/s1.

What are the key properties of (1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

(1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 476.58 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-6-fluoro-1'-[2-[(3-methoxy-4-pyridinyl)sulfanyl]-7H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 167671809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).