2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione

C25H34N4O5 — CID 68888602

IUPAC2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione
SMILESCC(C)CC(CC(=O)N1CCOCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1
InChIInChI=1S/C25H34N4O5/c1-17(2)12-19(14-22(31)27-8-10-34-11-9-27)25(33)28-7-5-20-24(28)21(30)16-29(20)23(32)13-18-4-3-6-26-15-18/h3-4,6,15,17,19-20,24H,5,7-14,16H2,1-2H3
InChIKeyABPWFODADRXBNU-UHFFFAOYSA-N
MW470.57 g/mol
LogP0.92
Rot. Bonds7

About 2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione

2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione (PubChem CID 68888602) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione
PubChem CID68888602
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Name2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione
SMILESCC(C)CC(CC(=O)N1CCOCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1
InChIInChI=1S/C25H34N4O5/c1-17(2)12-19(14-22(31)27-8-10-34-11-9-27)25(33)28-7-5-20-24(28)21(30)16-29(20)23(32)13-18-4-3-6-26-15-18/h3-4,6,15,17,19-20,24H,5,7-14,16H2,1-2H3
InChIKeyABPWFODADRXBNU-UHFFFAOYSA-N
XLogP0.92
TPSA100.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione with MolForge

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Related Compounds

2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(pyridine-3-carbonylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione
CID 87613127
1-[4-methyl-2-(3-pyridin-2-ylphenyl)pentanoyl]-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one
CID 68888047
N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoline-2-carboxamide
CID 91478772
4-(3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-2-(2-methylpropyl)-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione
CID 68888290
naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate
CID 68890953
1-benzofuran-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate
CID 68889540
N-[1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide
CID 68887776
1-(2-amino-4-methylpentanoyl)-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one
CID 68887531
N-[1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]-4-phenoxybenzamide
CID 68889803
7-methoxy-N-[1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-1-benzofuran-2-carboxamide
CID 90834659
4-tert-butyl-N-[1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl]cyclohexyl]benzamide
CID 68887279
2-(cyclohexylmethyl)-4-morpholin-4-yl-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)butane-1,4-dione
CID 68891330

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione?
The IUPAC name of 2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione (CID 68888602) is 2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione.
What is the SMILES notation for 2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione?
The canonical SMILES for 2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione is CC(C)CC(CC(=O)N1CCOCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1.
What is the InChIKey of 2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione?
The InChIKey is ABPWFODADRXBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-17(2)12-19(14-22(31)27-8-10-34-11-9-27)25(33)28-7-5-20-24(28)21(30)16-29(20)23(32)13-18-4-3-6-26-15-18/h3-4,6,15,17,19-20,24H,5,7-14,16H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione?
2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione has a molecular weight of 470.57 g/mol, XLogP of 0.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-morpholin-4-yl-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]butane-1,4-dione is sourced from PubChem (CID 68888602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).