4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole

C22H20N6O — CID 71603656

IUPAC4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCn1nc(-c2cccnc2)cc1-c1cnc2[nH]c(-c3c(C)noc3C)cc2c1
InChIInChI=1S/C22H20N6O/c1-4-28-20(10-18(26-28)15-6-5-7-23-11-15)17-8-16-9-19(25-22(16)24-12-17)21-13(2)27-29-14(21)3/h5-12H,4H2,1-3H3,(H,24,25)
InChIKeyXEQGDVUZOBJPBO-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.78
Rot. Bonds4

About 4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole

4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 71603656) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID71603656
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCn1nc(-c2cccnc2)cc1-c1cnc2[nH]c(-c3c(C)noc3C)cc2c1
InChIInChI=1S/C22H20N6O/c1-4-28-20(10-18(26-28)15-6-5-7-23-11-15)17-8-16-9-19(25-22(16)24-12-17)21-13(2)27-29-14(21)3/h5-12H,4H2,1-3H3,(H,24,25)
InChIKeyXEQGDVUZOBJPBO-UHFFFAOYSA-N
XLogP4.78
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole (CID 71603656) is 4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole is CCn1nc(-c2cccnc2)cc1-c1cnc2[nH]c(-c3c(C)noc3C)cc2c1.
What is the InChIKey of 4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is XEQGDVUZOBJPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-4-28-20(10-18(26-28)15-6-5-7-23-11-15)17-8-16-9-19(25-22(16)24-12-17)21-13(2)27-29-14(21)3/h5-12H,4H2,1-3H3,(H,24,25).
What are the key properties of 4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole?
4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 384.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 71603656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).