3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine

C21H17ClN4O2 — CID 159656495

IUPAC3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine
SMILESClc1cc2c(c(-c3ccnc4[nH]ccc34)c1)O[C@@H](c1onc3c1CCNC3)C2
InChIInChI=1S/C21H17ClN4O2/c22-12-7-11-8-18(20-15-1-4-23-10-17(15)26-28-20)27-19(11)16(9-12)13-2-5-24-21-14(13)3-6-25-21/h2-3,5-7,9,18,23H,1,4,8,10H2,(H,24,25)/t18-/m1/s1
InChIKeyZIEUAFXSLDIPCJ-GOSISDBHSA-N
MW392.85 g/mol
LogP4.19
Rot. Bonds2

About 3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine

3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine (PubChem CID 159656495) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine
PubChem CID159656495
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine
SMILESClc1cc2c(c(-c3ccnc4[nH]ccc34)c1)O[C@@H](c1onc3c1CCNC3)C2
InChIInChI=1S/C21H17ClN4O2/c22-12-7-11-8-18(20-15-1-4-23-10-17(15)26-28-20)27-19(11)16(9-12)13-2-5-24-21-14(13)3-6-25-21/h2-3,5-7,9,18,23H,1,4,8,10H2,(H,24,25)/t18-/m1/s1
InChIKeyZIEUAFXSLDIPCJ-GOSISDBHSA-N
XLogP4.19
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?
The IUPAC name of 3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine (CID 159656495) is 3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?
The canonical SMILES for 3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine is Clc1cc2c(c(-c3ccnc4[nH]ccc34)c1)O[C@@H](c1onc3c1CCNC3)C2.
What is the InChIKey of 3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?
The InChIKey is ZIEUAFXSLDIPCJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c22-12-7-11-8-18(20-15-1-4-23-10-17(15)26-28-20)27-19(11)16(9-12)13-2-5-24-21-14(13)3-6-25-21/h2-3,5-7,9,18,23H,1,4,8,10H2,(H,24,25)/t18-/m1/s1.
What are the key properties of 3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?
3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine has a molecular weight of 392.85 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine is sourced from PubChem (CID 159656495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).