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

C21H18N6O — CID 56748686

IUPAC1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1H-indol-3-yl)ethanone
SMILESNc1nc2c(c(-c3cccnc3)n1)CN(C(=O)Cc1c[nH]c3ccccc13)C2
InChIInChI=1S/C21H18N6O/c22-21-25-18-12-27(11-16(18)20(26-21)13-4-3-7-23-9-13)19(28)8-14-10-24-17-6-2-1-5-15(14)17/h1-7,9-10,24H,8,11-12H2,(H2,22,25,26)
InChIKeyMWINDZLMRQWRPR-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.69
Rot. Bonds3

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

1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1H-indol-3-yl)ethanone (PubChem CID 56748686) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1H-indol-3-yl)ethanone
PubChem CID56748686
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1H-indol-3-yl)ethanone
SMILESNc1nc2c(c(-c3cccnc3)n1)CN(C(=O)Cc1c[nH]c3ccccc13)C2
InChIInChI=1S/C21H18N6O/c22-21-25-18-12-27(11-16(18)20(26-21)13-4-3-7-23-9-13)19(28)8-14-10-24-17-6-2-1-5-15(14)17/h1-7,9-10,24H,8,11-12H2,(H2,22,25,26)
InChIKeyMWINDZLMRQWRPR-UHFFFAOYSA-N
XLogP2.69
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1H-indol-3-yl)ethanone (CID 56748686) is 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1H-indol-3-yl)ethanone is Nc1nc2c(c(-c3cccnc3)n1)CN(C(=O)Cc1c[nH]c3ccccc13)C2.
What is the InChIKey of 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1H-indol-3-yl)ethanone?
The InChIKey is MWINDZLMRQWRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c22-21-25-18-12-27(11-16(18)20(26-21)13-4-3-7-23-9-13)19(28)8-14-10-24-17-6-2-1-5-15(14)17/h1-7,9-10,24H,8,11-12H2,(H2,22,25,26).
What are the key properties of 1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1H-indol-3-yl)ethanone?
1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1H-indol-3-yl)ethanone has a molecular weight of 370.42 g/mol, XLogP of 2.69, 3 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)-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 56748686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).