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

C19H18N4O — CID 134806819

IUPAC4-(1,2-dimethyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc2c(cc(C)n2C)c(-c2cccnc2)n1
InChIInChI=1S/C19H18N4O/c1-11-8-15-17(23(11)4)9-16(18-12(2)22-24-13(18)3)21-19(15)14-6-5-7-20-10-14/h5-10H,1-4H3
InChIKeyWBNWJELBKXCZPS-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.22
Rot. Bonds2

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

4-(1,2-dimethyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 134806819) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(1,2-dimethyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1,2-dimethyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID134806819
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-(1,2-dimethyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc2c(cc(C)n2C)c(-c2cccnc2)n1
InChIInChI=1S/C19H18N4O/c1-11-8-15-17(23(11)4)9-16(18-12(2)22-24-13(18)3)21-19(15)14-6-5-7-20-10-14/h5-10H,1-4H3
InChIKeyWBNWJELBKXCZPS-UHFFFAOYSA-N
XLogP4.22
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-(1,2-dimethyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(1,2-dimethyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole (CID 134806819) is 4-(1,2-dimethyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(1,2-dimethyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(1,2-dimethyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cc2c(cc(C)n2C)c(-c2cccnc2)n1.
What is the InChIKey of 4-(1,2-dimethyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is WBNWJELBKXCZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-11-8-15-17(23(11)4)9-16(18-12(2)22-24-13(18)3)21-19(15)14-6-5-7-20-10-14/h5-10H,1-4H3.
What are the key properties of 4-(1,2-dimethyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole?
4-(1,2-dimethyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 318.38 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134806819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).