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

C18H16N4O — CID 134809180

IUPAC3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole
SMILESCc1cc2c(-c3cccnc3)nc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C18H16N4O/c1-10-7-14-15(20-10)8-16(17-11(2)22-23-12(17)3)21-18(14)13-5-4-6-19-9-13/h4-9,20H,1-3H3
InChIKeyGYTWRKWQIIZFEG-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.21
Rot. Bonds2

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

3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole (PubChem CID 134809180) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole
PubChem CID134809180
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole
SMILESCc1cc2c(-c3cccnc3)nc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C18H16N4O/c1-10-7-14-15(20-10)8-16(17-11(2)22-23-12(17)3)21-18(14)13-5-4-6-19-9-13/h4-9,20H,1-3H3
InChIKeyGYTWRKWQIIZFEG-UHFFFAOYSA-N
XLogP4.21
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole (CID 134809180) is 3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole is Cc1cc2c(-c3cccnc3)nc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of 3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole?
The InChIKey is GYTWRKWQIIZFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-10-7-14-15(20-10)8-16(17-11(2)22-23-12(17)3)21-18(14)13-5-4-6-19-9-13/h4-9,20H,1-3H3.
What are the key properties of 3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole?
3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole has a molecular weight of 304.35 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole is sourced from PubChem (CID 134809180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).