3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C13H18N2 — CID 71042049

IUPAC3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)c1cnc2[nH]cc(C(C)C)c2c1
InChIInChI=1S/C13H18N2/c1-8(2)10-5-11-12(9(3)4)7-15-13(11)14-6-10/h5-9H,1-4H3,(H,14,15)
InChIKeyVWXGRTIBXWTFTH-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.81
Rot. Bonds2

About 3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine

3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71042049) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID71042049
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)c1cnc2[nH]cc(C(C)C)c2c1
InChIInChI=1S/C13H18N2/c1-8(2)10-5-11-12(9(3)4)7-15-13(11)14-6-10/h5-9H,1-4H3,(H,14,15)
InChIKeyVWXGRTIBXWTFTH-UHFFFAOYSA-N
XLogP3.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 59024057
5-bromo-3-butan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 139023960
3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine
CID 121384031
3,6-di(propan-2-yl)-1,8-naphthyridine
CID 166719717
6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 118654391
3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 118254316
1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine
CID 172576249
(E)-3-[5-(3-methyl-5-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 122705573
4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 130179083
5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 122472434
5-(1,2,4-trihydroxybutyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 171873061
1,5-dibromo-2,4-bis(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-3-one
CID 151661329

Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 71042049) is 3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine is CC(C)c1cnc2[nH]cc(C(C)C)c2c1.
What is the InChIKey of 3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VWXGRTIBXWTFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8(2)10-5-11-12(9(3)4)7-15-13(11)14-6-10/h5-9H,1-4H3,(H,14,15).
What are the key properties of 3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 202.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71042049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).