2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine

C21H13F2N5O — CID 135499868

IUPAC2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine
SMILESNc1ccnc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1
InChIInChI=1S/C21H13F2N5O/c22-17-3-1-2-13(19(17)23)16-10-28-29-20(16)15-9-27-21-14(15)6-11(8-26-21)18-7-12(24)4-5-25-18/h1-10H,(H2,24,25)(H,26,27)
InChIKeyOBPFKKUMEDAZJC-UHFFFAOYSA-N
MW389.37 g/mol
LogP4.81
Rot. Bonds3

About 2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine

2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine (PubChem CID 135499868) has the molecular formula C21H13F2N5O and a molecular weight of 389.37 g/mol. Its IUPAC name is 2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine
PubChem CID135499868
Molecular FormulaC21H13F2N5O
Molecular Weight389.37 g/mol
Exact Mass389.11
IUPAC Name2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine
SMILESNc1ccnc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1
InChIInChI=1S/C21H13F2N5O/c22-17-3-1-2-13(19(17)23)16-10-28-29-20(16)15-9-27-21-14(15)6-11(8-26-21)18-7-12(24)4-5-25-18/h1-10H,(H2,24,25)(H,26,27)
InChIKeyOBPFKKUMEDAZJC-UHFFFAOYSA-N
XLogP4.81
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine?
The IUPAC name of 2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine (CID 135499868) is 2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine.
What is the SMILES notation for 2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine?
The canonical SMILES for 2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine is Nc1ccnc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1.
What is the InChIKey of 2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine?
The InChIKey is OBPFKKUMEDAZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N5O/c22-17-3-1-2-13(19(17)23)16-10-28-29-20(16)15-9-27-21-14(15)6-11(8-26-21)18-7-12(24)4-5-25-18/h1-10H,(H2,24,25)(H,26,27).
What are the key properties of 2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine?
2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine has a molecular weight of 389.37 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine is sourced from PubChem (CID 135499868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).