1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one

C22H20N6O — CID 56749590

IUPAC1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one
SMILESNc1nc2c(c(-c3cccnc3)n1)CN(C(=O)CCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C22H20N6O/c23-22-26-19-13-28(12-17(19)21(27-22)15-4-3-9-24-10-15)20(29)8-7-14-11-25-18-6-2-1-5-16(14)18/h1-6,9-11,25H,7-8,12-13H2,(H2,23,26,27)
InChIKeyGFJIBCGTTVJGCR-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.08
Rot. Bonds4

About 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one

1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one (PubChem CID 56749590) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one
PubChem CID56749590
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one
SMILESNc1nc2c(c(-c3cccnc3)n1)CN(C(=O)CCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C22H20N6O/c23-22-26-19-13-28(12-17(19)21(27-22)15-4-3-9-24-10-15)20(29)8-7-14-11-25-18-6-2-1-5-16(14)18/h1-6,9-11,25H,7-8,12-13H2,(H2,23,26,27)
InChIKeyGFJIBCGTTVJGCR-UHFFFAOYSA-N
XLogP3.08
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one with MolForge

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Related Compounds

1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1H-indol-3-yl)ethanone
CID 56748686
3-(1H-indol-3-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56537546
3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 53185359
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone
CID 55809999
3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
CID 155983427
1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 127250571
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 124993546
3-(1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 2524334
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one (CID 56749590) is 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one is Nc1nc2c(c(-c3cccnc3)n1)CN(C(=O)CCc1c[nH]c3ccccc13)C2.
What is the InChIKey of 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is GFJIBCGTTVJGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c23-22-26-19-13-28(12-17(19)21(27-22)15-4-3-9-24-10-15)20(29)8-7-14-11-25-18-6-2-1-5-16(14)18/h1-6,9-11,25H,7-8,12-13H2,(H2,23,26,27).
What are the key properties of 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one?
1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 384.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 56749590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).