1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine

C18H21N5 — CID 172576249

IUPAC1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCC(C)c1cnc2c(ccn2C)c1.Nc1cnc2[nH]ccc2c1
InChIInChI=1S/C11H14N2.C7H7N3/c1-8(2)10-6-9-4-5-13(3)11(9)12-7-10;8-6-3-5-1-2-9-7(5)10-4-6/h4-8H,1-3H3;1-4H,8H2,(H,9,10)
InChIKeyDIALQCDLJPJMHQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.84
Rot. Bonds1

About 1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine

1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 172576249) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID172576249
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCC(C)c1cnc2c(ccn2C)c1.Nc1cnc2[nH]ccc2c1
InChIInChI=1S/C11H14N2.C7H7N3/c1-8(2)10-6-9-4-5-13(3)11(9)12-7-10;8-6-3-5-1-2-9-7(5)10-4-6/h4-8H,1-3H3;1-4H,8H2,(H,9,10)
InChIKeyDIALQCDLJPJMHQ-UHFFFAOYSA-N
XLogP3.84
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of 1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine (CID 172576249) is 1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for 1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for 1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine is CC(C)c1cnc2c(ccn2C)c1.Nc1cnc2[nH]ccc2c1.
What is the InChIKey of 1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is DIALQCDLJPJMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C7H7N3/c1-8(2)10-6-9-4-5-13(3)11(9)12-7-10;8-6-3-5-1-2-9-7(5)10-4-6/h4-8H,1-3H3;1-4H,8H2,(H,9,10).
What are the key properties of 1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine?
1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 307.40 g/mol, XLogP of 3.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 172576249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).