4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide

C34H40N6O2 — CID 155777567

IUPAC4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
SMILESCc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CC[C@@H]4CN(C)CCN54)nc23)ccc1C(=O)N(C)C[C@@H]1CCOC1
InChIInChI=1S/C34H40N6O2/c1-21-13-24(6-8-28(21)34(41)39(4)18-23-9-12-42-20-23)29-16-35-33-31(29)37-30(17-36-33)26-14-22(2)32-25(15-26)5-7-27-19-38(3)10-11-40(27)32/h6,8,13-17,23,27H,5,7,9-12,18-20H2,1-4H3,(H,35,36)/t23-,27+/m0/s1
InChIKeyVEPYERRJEDKFTO-WNCULLNHSA-N
MW564.73 g/mol
LogP5.08
Rot. Bonds5

About 4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide

4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide (PubChem CID 155777567) has the molecular formula C34H40N6O2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
PubChem CID155777567
Molecular FormulaC34H40N6O2
Molecular Weight564.73 g/mol
Exact Mass564.32
IUPAC Name4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
SMILESCc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CC[C@@H]4CN(C)CCN54)nc23)ccc1C(=O)N(C)C[C@@H]1CCOC1
InChIInChI=1S/C34H40N6O2/c1-21-13-24(6-8-28(21)34(41)39(4)18-23-9-12-42-20-23)29-16-35-33-31(29)37-30(17-36-33)26-14-22(2)32-25(15-26)5-7-27-19-38(3)10-11-40(27)32/h6,8,13-17,23,27H,5,7,9-12,18-20H2,1-4H3,(H,35,36)/t23-,27+/m0/s1
InChIKeyVEPYERRJEDKFTO-WNCULLNHSA-N
XLogP5.08
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The IUPAC name of 4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide (CID 155777567) is 4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide.
What is the SMILES notation for 4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The canonical SMILES for 4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide is Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CC[C@@H]4CN(C)CCN54)nc23)ccc1C(=O)N(C)C[C@@H]1CCOC1.
What is the InChIKey of 4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The InChIKey is VEPYERRJEDKFTO-WNCULLNHSA-N. The full InChI is InChI=1S/C34H40N6O2/c1-21-13-24(6-8-28(21)34(41)39(4)18-23-9-12-42-20-23)29-16-35-33-31(29)37-30(17-36-33)26-14-22(2)32-25(15-26)5-7-27-19-38(3)10-11-40(27)32/h6,8,13-17,23,27H,5,7,9-12,18-20H2,1-4H3,(H,35,36)/t23-,27+/m0/s1.
What are the key properties of 4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide has a molecular weight of 564.73 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4aR)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide is sourced from PubChem (CID 155777567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).