3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole

C23H21N5O — CID 134806153

IUPAC3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cc2c(cc(-c3ccccc3)n2C)c(-c2ccnn2C)n1
InChIInChI=1S/C23H21N5O/c1-14-22(15(2)29-26-14)18-13-21-17(23(25-18)19-10-11-24-28(19)4)12-20(27(21)3)16-8-6-5-7-9-16/h5-13H,1-4H3
InChIKeyNZEZJUSDHFTKLA-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.91
Rot. Bonds3

About 3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole

3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole (PubChem CID 134806153) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole
PubChem CID134806153
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cc2c(cc(-c3ccccc3)n2C)c(-c2ccnn2C)n1
InChIInChI=1S/C23H21N5O/c1-14-22(15(2)29-26-14)18-13-21-17(23(25-18)19-10-11-24-28(19)4)12-20(27(21)3)16-8-6-5-7-9-16/h5-13H,1-4H3
InChIKeyNZEZJUSDHFTKLA-UHFFFAOYSA-N
XLogP4.91
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole (CID 134806153) is 3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole is Cc1noc(C)c1-c1cc2c(cc(-c3ccccc3)n2C)c(-c2ccnn2C)n1.
What is the InChIKey of 3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole?
The InChIKey is NZEZJUSDHFTKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-14-22(15(2)29-26-14)18-13-21-17(23(25-18)19-10-11-24-28(19)4)12-20(27(21)3)16-8-6-5-7-9-16/h5-13H,1-4H3.
What are the key properties of 3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole?
3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole has a molecular weight of 383.46 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[1-methyl-4-(2-methylpyrazol-3-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole is sourced from PubChem (CID 134806153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).