5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide

C22H26N6O — CID 121334801

IUPAC5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)n1cc(-c2ccc3c(c2)CCN3C(=O)NC2CCC2)c2c(N)ncnc21
InChIInChI=1S/C22H26N6O/c1-13(2)28-11-17(19-20(23)24-12-25-21(19)28)14-6-7-18-15(10-14)8-9-27(18)22(29)26-16-4-3-5-16/h6-7,10-13,16H,3-5,8-9H2,1-2H3,(H,26,29)(H2,23,24,25)
InChIKeyOJRMYCPLNSQHBA-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.89
Rot. Bonds3

About 5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide

5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide (PubChem CID 121334801) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide
PubChem CID121334801
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)n1cc(-c2ccc3c(c2)CCN3C(=O)NC2CCC2)c2c(N)ncnc21
InChIInChI=1S/C22H26N6O/c1-13(2)28-11-17(19-20(23)24-12-25-21(19)28)14-6-7-18-15(10-14)8-9-27(18)22(29)26-16-4-3-5-16/h6-7,10-13,16H,3-5,8-9H2,1-2H3,(H,26,29)(H2,23,24,25)
InChIKeyOJRMYCPLNSQHBA-UHFFFAOYSA-N
XLogP3.89
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide (CID 121334801) is 5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide is CC(C)n1cc(-c2ccc3c(c2)CCN3C(=O)NC2CCC2)c2c(N)ncnc21.
What is the InChIKey of 5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is OJRMYCPLNSQHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-13(2)28-11-17(19-20(23)24-12-25-21(19)28)14-6-7-18-15(10-14)8-9-27(18)22(29)26-16-4-3-5-16/h6-7,10-13,16H,3-5,8-9H2,1-2H3,(H,26,29)(H2,23,24,25).
What are the key properties of 5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide?
5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 121334801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).