2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine

C20H21N3O — CID 155069577

IUPAC2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine
SMILESCC(C)c1cc2ccc(CC(C)c3cc4cccnc4[nH]3)nc2o1
InChIInChI=1S/C20H21N3O/c1-12(2)18-11-15-6-7-16(22-20(15)24-18)9-13(3)17-10-14-5-4-8-21-19(14)23-17/h4-8,10-13H,9H2,1-3H3,(H,21,23)
InChIKeyOBSCZEPADGMVKO-UHFFFAOYSA-N
MW319.41 g/mol
LogP5.17
Rot. Bonds4

About 2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine

2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine (PubChem CID 155069577) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine
PubChem CID155069577
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine
SMILESCC(C)c1cc2ccc(CC(C)c3cc4cccnc4[nH]3)nc2o1
InChIInChI=1S/C20H21N3O/c1-12(2)18-11-15-6-7-16(22-20(15)24-18)9-13(3)17-10-14-5-4-8-21-19(14)23-17/h4-8,10-13H,9H2,1-3H3,(H,21,23)
InChIKeyOBSCZEPADGMVKO-UHFFFAOYSA-N
XLogP5.17
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine?
The IUPAC name of 2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine (CID 155069577) is 2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine.
What is the SMILES notation for 2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine?
The canonical SMILES for 2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine is CC(C)c1cc2ccc(CC(C)c3cc4cccnc4[nH]3)nc2o1.
What is the InChIKey of 2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine?
The InChIKey is OBSCZEPADGMVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-12(2)18-11-15-6-7-16(22-20(15)24-18)9-13(3)17-10-14-5-4-8-21-19(14)23-17/h4-8,10-13H,9H2,1-3H3,(H,21,23).
What are the key properties of 2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine?
2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine has a molecular weight of 319.41 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]furo[2,3-b]pyridine is sourced from PubChem (CID 155069577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).