N-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide

C20H32N6O2 — CID 166617149

IUPACN-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1C[C@@H]2CN(Cc3nccn3C3CC3)C[C@]2(CN(C)C)C1
InChIInChI=1S/C20H32N6O2/c1-15(27)22-8-19(28)25-10-16-9-24(13-20(16,14-25)12-23(2)3)11-18-21-6-7-26(18)17-4-5-17/h6-7,16-17H,4-5,8-14H2,1-3H3,(H,22,27)/t16-,20+/m0/s1
InChIKeyQBMVWAFFFZXMLT-OXJNMPFZSA-N
MW388.52 g/mol
LogP0.18
Rot. Bonds7

About N-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide

N-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide (PubChem CID 166617149) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide
PubChem CID166617149
Molecular FormulaC20H32N6O2
Molecular Weight388.52 g/mol
Exact Mass388.26
IUPAC NameN-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1C[C@@H]2CN(Cc3nccn3C3CC3)C[C@]2(CN(C)C)C1
InChIInChI=1S/C20H32N6O2/c1-15(27)22-8-19(28)25-10-16-9-24(13-20(16,14-25)12-23(2)3)11-18-21-6-7-26(18)17-4-5-17/h6-7,16-17H,4-5,8-14H2,1-3H3,(H,22,27)/t16-,20+/m0/s1
InChIKeyQBMVWAFFFZXMLT-OXJNMPFZSA-N
XLogP0.18
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide with MolForge

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Related Compounds

(4aR,8aR)-7-[(1-cyclopropylimidazol-2-yl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide
CID 72896549
[3a-[(dimethylamino)methyl]-2-(pyrimidin-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(oxan-4-yl)methanone
CID 138382749
3-[5-(dimethylsulfamoyl)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]propanoic acid
CID 138386330
N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 66291157
[4-[(1-cyclopropylimidazol-2-yl)methyl]-6-hydroxy-1,4-diazepan-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 74251112
1-[(1-cyclopropylimidazol-2-yl)methyl]-4-methylsulfonyl-1,4-diazepane
CID 91843553
(3aS,4R,6aR)-2-[(1-cyclopropylimidazol-2-yl)methyl]-N,N-dimethyl-4-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;acetic acid
CID 171329755
N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
CID 118744938
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
3-[(3S)-1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-3-yl]benzoic acid
CID 97207072
(3aR,6aR)-5-(cyclopropanecarbonyl)-2-[(1-ethylimidazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50985040
N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 100757200

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide (CID 166617149) is N-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1C[C@@H]2CN(Cc3nccn3C3CC3)C[C@]2(CN(C)C)C1.
What is the InChIKey of N-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide?
The InChIKey is QBMVWAFFFZXMLT-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H32N6O2/c1-15(27)22-8-19(28)25-10-16-9-24(13-20(16,14-25)12-23(2)3)11-18-21-6-7-26(18)17-4-5-17/h6-7,16-17H,4-5,8-14H2,1-3H3,(H,22,27)/t16-,20+/m0/s1.
What are the key properties of N-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide?
N-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide has a molecular weight of 388.52 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3aS,6aS)-2-[(1-cyclopropylimidazol-2-yl)methyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 166617149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).