2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide

C17H17N5O2 — CID 129044958

IUPAC2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide
SMILESCn1ccc2cc(Oc3ncnc4c3CN(CC(N)=O)C4)ccc21
InChIInChI=1S/C17H17N5O2/c1-21-5-4-11-6-12(2-3-15(11)21)24-17-13-7-22(9-16(18)23)8-14(13)19-10-20-17/h2-6,10H,7-9H2,1H3,(H2,18,23)
InChIKeySDLPGDHMZIZXAI-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.56
Rot. Bonds4

About 2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide

2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide (PubChem CID 129044958) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide
PubChem CID129044958
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide
SMILESCn1ccc2cc(Oc3ncnc4c3CN(CC(N)=O)C4)ccc21
InChIInChI=1S/C17H17N5O2/c1-21-5-4-11-6-12(2-3-15(11)21)24-17-13-7-22(9-16(18)23)8-14(13)19-10-20-17/h2-6,10H,7-9H2,1H3,(H2,18,23)
InChIKeySDLPGDHMZIZXAI-UHFFFAOYSA-N
XLogP1.56
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide?
The IUPAC name of 2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide (CID 129044958) is 2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide.
What is the SMILES notation for 2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide?
The canonical SMILES for 2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide is Cn1ccc2cc(Oc3ncnc4c3CN(CC(N)=O)C4)ccc21.
What is the InChIKey of 2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide?
The InChIKey is SDLPGDHMZIZXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-21-5-4-11-6-12(2-3-15(11)21)24-17-13-7-22(9-16(18)23)8-14(13)19-10-20-17/h2-6,10H,7-9H2,1H3,(H2,18,23).
What are the key properties of 2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide?
2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide has a molecular weight of 323.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 129044958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).