2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

C23H17F2N5 — CID 71603406

IUPAC2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCn1nc(-c2cccnc2)cc1-c1cnc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C23H17F2N5/c1-2-30-21(11-19(29-30)14-5-4-8-26-12-14)16-9-15-10-20(28-23(15)27-13-16)22-17(24)6-3-7-18(22)25/h3-13H,2H2,1H3,(H,27,28)
InChIKeyKEEOMVJXKDBJQY-UHFFFAOYSA-N
MW401.42 g/mol
LogP5.45
Rot. Bonds4

About 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71603406) has the molecular formula C23H17F2N5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID71603406
Molecular FormulaC23H17F2N5
Molecular Weight401.42 g/mol
Exact Mass401.15
IUPAC Name2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCn1nc(-c2cccnc2)cc1-c1cnc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C23H17F2N5/c1-2-30-21(11-19(29-30)14-5-4-8-26-12-14)16-9-15-10-20(28-23(15)27-13-16)22-17(24)6-3-7-18(22)25/h3-13H,2H2,1H3,(H,27,28)
InChIKeyKEEOMVJXKDBJQY-UHFFFAOYSA-N
XLogP5.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole
CID 58200521
4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-ethyl-2-pyridin-3-yl-1,3-thiazole
CID 71580296
3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 89488087
2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole
CID 51036879
5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 71603595
3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 71548268
2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole
CID 58200697
1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde
CID 84761337
2-methyl-6-pyridin-3-ylpyridine;propane
CID 144615785
1-ethyl-3,5-diphenylpyrazole
CID 12665793
3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine
CID 121211783
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 92602574

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 71603406) is 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is CCn1nc(-c2cccnc2)cc1-c1cnc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KEEOMVJXKDBJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5/c1-2-30-21(11-19(29-30)14-5-4-8-26-12-14)16-9-15-10-20(28-23(15)27-13-16)22-17(24)6-3-7-18(22)25/h3-13H,2H2,1H3,(H,27,28).
What are the key properties of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 401.42 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71603406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).