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

C18H19N5O — CID 134806482

IUPAC4-[1,2-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc2c(cc(C)n2C)c(-c2cnn(C)c2)n1
InChIInChI=1S/C18H19N5O/c1-10-6-14-16(23(10)5)7-15(17-11(2)21-24-12(17)3)20-18(14)13-8-19-22(4)9-13/h6-9H,1-5H3
InChIKeyIRBVYOICXAOFKC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.55
Rot. Bonds2

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

4-[1,2-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134806482) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[1,2-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1,2-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134806482
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-[1,2-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc2c(cc(C)n2C)c(-c2cnn(C)c2)n1
InChIInChI=1S/C18H19N5O/c1-10-6-14-16(23(10)5)7-15(17-11(2)21-24-12(17)3)20-18(14)13-8-19-22(4)9-13/h6-9H,1-5H3
InChIKeyIRBVYOICXAOFKC-UHFFFAOYSA-N
XLogP3.55
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.55
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 4-[1,2-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1,2-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 134806482) is 4-[1,2-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1,2-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1,2-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cc2c(cc(C)n2C)c(-c2cnn(C)c2)n1.
What is the InChIKey of 4-[1,2-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is IRBVYOICXAOFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-10-6-14-16(23(10)5)7-15(17-11(2)21-24-12(17)3)20-18(14)13-8-19-22(4)9-13/h6-9H,1-5H3.
What are the key properties of 4-[1,2-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[1,2-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 321.38 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134806482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).