1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone

C22H20N6O — CID 72704111

IUPAC1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone
SMILESCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccccn2)c2c(N)ncnc21
InChIInChI=1S/C22H20N6O/c1-27-12-17(20-21(23)25-13-26-22(20)27)14-5-6-18-15(10-14)7-9-28(18)19(29)11-16-4-2-3-8-24-16/h2-6,8,10,12-13H,7,9,11H2,1H3,(H2,23,25,26)
InChIKeySKNNYROPGOOGGW-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.74
Rot. Bonds3

About 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone

1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone (PubChem CID 72704111) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone
PubChem CID72704111
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone
SMILESCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccccn2)c2c(N)ncnc21
InChIInChI=1S/C22H20N6O/c1-27-12-17(20-21(23)25-13-26-22(20)27)14-5-6-18-15(10-14)7-9-28(18)19(29)11-16-4-2-3-8-24-16/h2-6,8,10,12-13H,7,9,11H2,1H3,(H2,23,25,26)
InChIKeySKNNYROPGOOGGW-UHFFFAOYSA-N
XLogP2.74
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone (CID 72704111) is 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone is Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccccn2)c2c(N)ncnc21.
What is the InChIKey of 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is SKNNYROPGOOGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-27-12-17(20-21(23)25-13-26-22(20)27)14-5-6-18-15(10-14)7-9-28(18)19(29)11-16-4-2-3-8-24-16/h2-6,8,10,12-13H,7,9,11H2,1H3,(H2,23,25,26).
What are the key properties of 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone?
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 384.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 72704111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).