[(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone

C19H19N5O — CID 124802198

IUPAC[(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CC[C@@H]2[C@@H]1CCN2c1ncccn1
InChIInChI=1S/C19H19N5O/c25-18(14-2-3-15-13(12-14)4-9-20-15)23-10-5-17-16(23)6-11-24(17)19-21-7-1-8-22-19/h1-4,7-9,12,16-17,20H,5-6,10-11H2/t16-,17+/m0/s1
InChIKeyVEIIVXFDLHLVES-DLBZAZTESA-N
MW333.39 g/mol
LogP2.45
Rot. Bonds2

About [(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone

[(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone (PubChem CID 124802198) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is [(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone
PubChem CID124802198
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name[(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CC[C@@H]2[C@@H]1CCN2c1ncccn1
InChIInChI=1S/C19H19N5O/c25-18(14-2-3-15-13(12-14)4-9-20-15)23-10-5-17-16(23)6-11-24(17)19-21-7-1-8-22-19/h1-4,7-9,12,16-17,20H,5-6,10-11H2/t16-,17+/m0/s1
InChIKeyVEIIVXFDLHLVES-DLBZAZTESA-N
XLogP2.45
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone with MolForge

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Related Compounds

(3aR,6aS)-1-(1H-indole-5-carbonyl)-4-(1-methylpyrazol-4-yl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97386406
[(4aS,9aR)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(1H-indol-5-yl)methanone
CID 67224579
(2,4-dimethylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 55236063
(2-cyclopentylpyrrolidin-1-yl)-(1H-indol-6-yl)methanone
CID 61073765
1-[(3aS,6aS)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-(4-fluorophenyl)ethanone
CID 125235696
[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 97470101
1-(1H-indole-5-carbonyl)pyrrolidine-2-carboxamide
CID 63723246
1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 63717325
1-(1H-indole-5-carbonyl)piperidine-2-carboxamide
CID 63719368
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 71799506
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1H-indol-6-yl)methanone
CID 51088257
[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(1H-indol-6-yl)methanone
CID 94613419

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone (CID 124802198) is [(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone is O=C(c1ccc2[nH]ccc2c1)N1CC[C@@H]2[C@@H]1CCN2c1ncccn1.
What is the InChIKey of [(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone?
The InChIKey is VEIIVXFDLHLVES-DLBZAZTESA-N. The full InChI is InChI=1S/C19H19N5O/c25-18(14-2-3-15-13(12-14)4-9-20-15)23-10-5-17-16(23)6-11-24(17)19-21-7-1-8-22-19/h1-4,7-9,12,16-17,20H,5-6,10-11H2/t16-,17+/m0/s1.
What are the key properties of [(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone?
[(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone has a molecular weight of 333.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-1-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 124802198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).