4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole

C20H16F2N4O — CID 135540495

IUPAC4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole
SMILESFc1cccc(-c2cnoc2-c2c[nH]c3nc(N4CCCC4)ccc23)c1F
InChIInChI=1S/C20H16F2N4O/c21-16-5-3-4-12(18(16)22)15-11-24-27-19(15)14-10-23-20-13(14)6-7-17(25-20)26-8-1-2-9-26/h3-7,10-11H,1-2,8-9H2,(H,23,25)
InChIKeyYNNGUVUACZYGPF-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.76
Rot. Bonds3

About 4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole

4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole (PubChem CID 135540495) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole
PubChem CID135540495
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC Name4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole
SMILESFc1cccc(-c2cnoc2-c2c[nH]c3nc(N4CCCC4)ccc23)c1F
InChIInChI=1S/C20H16F2N4O/c21-16-5-3-4-12(18(16)22)15-11-24-27-19(15)14-10-23-20-13(14)6-7-17(25-20)26-8-1-2-9-26/h3-7,10-11H,1-2,8-9H2,(H,23,25)
InChIKeyYNNGUVUACZYGPF-UHFFFAOYSA-N
XLogP4.76
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?
The IUPAC name of 4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole (CID 135540495) is 4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole.
What is the SMILES notation for 4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?
The canonical SMILES for 4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole is Fc1cccc(-c2cnoc2-c2c[nH]c3nc(N4CCCC4)ccc23)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?
The InChIKey is YNNGUVUACZYGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O/c21-16-5-3-4-12(18(16)22)15-11-24-27-19(15)14-10-23-20-13(14)6-7-17(25-20)26-8-1-2-9-26/h3-7,10-11H,1-2,8-9H2,(H,23,25).
What are the key properties of 4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole?
4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole has a molecular weight of 366.37 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-5-(6-pyrrolidin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole is sourced from PubChem (CID 135540495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).