1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine

C24H22FN7 — CID 147047304

IUPAC1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine
SMILESCCc1c(Cc2cc(-n3nc(C)c4ncccc43)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H22FN7/c1-4-19-20(30-31(3)24(19)16-7-9-17(25)10-8-16)12-18-13-22(28-14-27-18)32-21-6-5-11-26-23(21)15(2)29-32/h5-11,13-14H,4,12H2,1-3H3
InChIKeyBAQCLDUISYJZCY-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.21
Rot. Bonds5

About 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine

1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine (PubChem CID 147047304) has the molecular formula C24H22FN7 and a molecular weight of 427.49 g/mol. Its IUPAC name is 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine
PubChem CID147047304
Molecular FormulaC24H22FN7
Molecular Weight427.49 g/mol
Exact Mass427.19
IUPAC Name1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine
SMILESCCc1c(Cc2cc(-n3nc(C)c4ncccc43)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H22FN7/c1-4-19-20(30-31(3)24(19)16-7-9-17(25)10-8-16)12-18-13-22(28-14-27-18)32-21-6-5-11-26-23(21)15(2)29-32/h5-11,13-14H,4,12H2,1-3H3
InChIKeyBAQCLDUISYJZCY-UHFFFAOYSA-N
XLogP4.21
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine (CID 147047304) is 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine is CCc1c(Cc2cc(-n3nc(C)c4ncccc43)ncn2)nn(C)c1-c1ccc(F)cc1.
What is the InChIKey of 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine?
The InChIKey is BAQCLDUISYJZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7/c1-4-19-20(30-31(3)24(19)16-7-9-17(25)10-8-16)12-18-13-22(28-14-27-18)32-21-6-5-11-26-23(21)15(2)29-32/h5-11,13-14H,4,12H2,1-3H3.
What are the key properties of 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine?
1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine has a molecular weight of 427.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3-methylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 147047304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).