5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one

C27H27N7OS — CID 167534021

About 5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one

5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 167534021) has the molecular formula C27H27N7OS and a molecular weight of 497.63 g/mol. Its IUPAC name is 5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 167534021
• Molecular Formula: C27H27N7OS
• Molecular Weight: 497.63 g/mol
• Exact Mass: 497.20
• IUPAC Name: 5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one
• SMILES: N[C@@H]1c2cccnc2CC12CCN(C1=Nc3ncc(Sc4cccc5c4CCC(=O)N5)nc3C1)CC2
• InChI: InChI=1S/C27H27N7OS/c28-25-17-3-2-10-29-20(17)14-27(25)8-11-34(12-9-27)22-13-19-26(33-22)30-15-24(32-19)36-21-5-1-4-18-16(21)6-7-23(35)31-18/h1-5,10,15,25H,6-9,11-14,28H2,(H,31,35)/t25-/m1/s1
• InChIKey: AILZPOYYHZCOOH-RUZDIDTESA-N
• XLogP: 3.83
• TPSA: 109.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.63
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one (CID 167534021) is 5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one is N[C@@H]1c2cccnc2CC12CCN(C1=Nc3ncc(Sc4cccc5c4CCC(=O)N5)nc3C1)CC2.

What is the InChIKey of 5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is AILZPOYYHZCOOH-RUZDIDTESA-N. The full InChI is InChI=1S/C27H27N7OS/c28-25-17-3-2-10-29-20(17)14-27(25)8-11-34(12-9-27)22-13-19-26(33-22)30-15-24(32-19)36-21-5-1-4-18-16(21)6-7-23(35)31-18/h1-5,10,15,25H,6-9,11-14,28H2,(H,31,35)/t25-/m1/s1.

What are the key properties of 5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one?

5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 497.63 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 167534021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).