4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine

C30H56N6 — CID 126748022

IUPAC4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine
SMILESCC(CC1CC2CN(C(C)(C)C3CCN(C(C)C)C4CCNCC43)CCN2C1)N1CC2CNCC2C1
InChIInChI=1S/C30H56N6/c1-21(2)36-9-7-28(27-16-31-8-6-29(27)36)30(4,5)35-11-10-33-17-23(13-26(33)20-35)12-22(3)34-18-24-14-32-15-25(24)19-34/h21-29,31-32H,6-20H2,1-5H3
InChIKeyCVKOFSILOYMNGZ-UHFFFAOYSA-N
MW500.82 g/mol
LogP2.41
Rot. Bonds6

About 4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine

4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine (PubChem CID 126748022) has the molecular formula C30H56N6 and a molecular weight of 500.82 g/mol. Its IUPAC name is 4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine.

Molecular Properties

Compound Name4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine
PubChem CID126748022
Molecular FormulaC30H56N6
Molecular Weight500.82 g/mol
Exact Mass500.46
IUPAC Name4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine
SMILESCC(CC1CC2CN(C(C)(C)C3CCN(C(C)C)C4CCNCC43)CCN2C1)N1CC2CNCC2C1
InChIInChI=1S/C30H56N6/c1-21(2)36-9-7-28(27-16-31-8-6-29(27)36)30(4,5)35-11-10-33-17-23(13-26(33)20-35)12-22(3)34-18-24-14-32-15-25(24)19-34/h21-29,31-32H,6-20H2,1-5H3
InChIKeyCVKOFSILOYMNGZ-UHFFFAOYSA-N
XLogP2.41
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.82
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine?
The IUPAC name of 4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine (CID 126748022) is 4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine.
What is the SMILES notation for 4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine?
The canonical SMILES for 4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine is CC(CC1CC2CN(C(C)(C)C3CCN(C(C)C)C4CCNCC43)CCN2C1)N1CC2CNCC2C1.
What is the InChIKey of 4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine?
The InChIKey is CVKOFSILOYMNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N6/c1-21(2)36-9-7-28(27-16-31-8-6-29(27)36)30(4,5)35-11-10-33-17-23(13-26(33)20-35)12-22(3)34-18-24-14-32-15-25(24)19-34/h21-29,31-32H,6-20H2,1-5H3.
What are the key properties of 4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine?
4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine has a molecular weight of 500.82 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine is sourced from PubChem (CID 126748022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).