1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

C24H19F2N5O — CID 135545447

IUPAC1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)nc1
InChIInChI=1S/C24H19F2N5O/c1-31(2)13-14-6-7-21(27-9-14)15-8-17-18(11-29-24(17)28-10-15)23-19(12-30-32-23)16-4-3-5-20(25)22(16)26/h3-12H,13H2,1-2H3,(H,28,29)
InChIKeyBPPQPHUGOXSYHQ-UHFFFAOYSA-N
MW431.45 g/mol
LogP5.29
Rot. Bonds5

About 1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 135545447) has the molecular formula C24H19F2N5O and a molecular weight of 431.45 g/mol. Its IUPAC name is 1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
PubChem CID135545447
Molecular FormulaC24H19F2N5O
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)nc1
InChIInChI=1S/C24H19F2N5O/c1-31(2)13-14-6-7-21(27-9-14)15-8-17-18(11-29-24(17)28-10-15)23-19(12-30-32-23)16-4-3-5-20(25)22(16)26/h3-12H,13H2,1-2H3,(H,28,29)
InChIKeyBPPQPHUGOXSYHQ-UHFFFAOYSA-N
XLogP5.29
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (CID 135545447) is 1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)nc1.
What is the InChIKey of 1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The InChIKey is BPPQPHUGOXSYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O/c1-31(2)13-14-6-7-21(27-9-14)15-8-17-18(11-29-24(17)28-10-15)23-19(12-30-32-23)16-4-3-5-20(25)22(16)26/h3-12H,13H2,1-2H3,(H,28,29).
What are the key properties of 1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 431.45 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 135545447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).