7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine

C20H19N5O — CID 170556466

IUPAC7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine
SMILESCc1nn(C)c(C)c1-c1cc2c(c(-c3ccnc4nc[nH]c34)c1)OCC2
InChIInChI=1S/C20H19N5O/c1-11-17(12(2)25(3)24-11)14-8-13-5-7-26-19(13)16(9-14)15-4-6-21-20-18(15)22-10-23-20/h4,6,8-10H,5,7H2,1-3H3,(H,21,22,23)
InChIKeyWGNUUCXVXOZDAK-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.58
Rot. Bonds2

About 7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine

7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 170556466) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID170556466
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine
SMILESCc1nn(C)c(C)c1-c1cc2c(c(-c3ccnc4nc[nH]c34)c1)OCC2
InChIInChI=1S/C20H19N5O/c1-11-17(12(2)25(3)24-11)14-8-13-5-7-26-19(13)16(9-14)15-4-6-21-20-18(15)22-10-23-20/h4,6,8-10H,5,7H2,1-3H3,(H,21,22,23)
InChIKeyWGNUUCXVXOZDAK-UHFFFAOYSA-N
XLogP3.58
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine (CID 170556466) is 7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine is Cc1nn(C)c(C)c1-c1cc2c(c(-c3ccnc4nc[nH]c34)c1)OCC2.
What is the InChIKey of 7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is WGNUUCXVXOZDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-11-17(12(2)25(3)24-11)14-8-13-5-7-26-19(13)16(9-14)15-4-6-21-20-18(15)22-10-23-20/h4,6,8-10H,5,7H2,1-3H3,(H,21,22,23).
What are the key properties of 7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine?
7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 345.41 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 170556466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).