1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine

C17H22N4 — CID 175626324

IUPAC1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine
SMILESCC(C)c1cc(-c2ccnn2C(C)C)nc2c1ccn2C
InChIInChI=1S/C17H22N4/c1-11(2)14-10-15(16-6-8-18-21(16)12(3)4)19-17-13(14)7-9-20(17)5/h6-12H,1-5H3
InChIKeyGMNCQLCHZBDJTO-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.14
Rot. Bonds3

About 1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine

1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine (PubChem CID 175626324) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine
PubChem CID175626324
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine
SMILESCC(C)c1cc(-c2ccnn2C(C)C)nc2c1ccn2C
InChIInChI=1S/C17H22N4/c1-11(2)14-10-15(16-6-8-18-21(16)12(3)4)19-17-13(14)7-9-20(17)5/h6-12H,1-5H3
InChIKeyGMNCQLCHZBDJTO-UHFFFAOYSA-N
XLogP4.14
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine (CID 175626324) is 1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine is CC(C)c1cc(-c2ccnn2C(C)C)nc2c1ccn2C.
What is the InChIKey of 1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is GMNCQLCHZBDJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11(2)14-10-15(16-6-8-18-21(16)12(3)4)19-17-13(14)7-9-20(17)5/h6-12H,1-5H3.
What are the key properties of 1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine?
1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 282.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-6-(2-propan-2-ylpyrazol-3-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 175626324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).