N-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine

C27H23FN8 — CID 139418181

IUPACN-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C27H23FN8/c1-3-36(2)15-16-7-18(11-29-10-16)19-9-21-25(34-35-26(21)31-12-19)27-32-23-14-30-13-22(24(23)33-27)17-5-4-6-20(28)8-17/h4-14H,3,15H2,1-2H3,(H,32,33)(H,31,34,35)
InChIKeyFITCDKDTYPIZKE-UHFFFAOYSA-N
MW478.54 g/mol
LogP5.22
Rot. Bonds6

About N-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine

N-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine (PubChem CID 139418181) has the molecular formula C27H23FN8 and a molecular weight of 478.54 g/mol. Its IUPAC name is N-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine
PubChem CID139418181
Molecular FormulaC27H23FN8
Molecular Weight478.54 g/mol
Exact Mass478.20
IUPAC NameN-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C27H23FN8/c1-3-36(2)15-16-7-18(11-29-10-16)19-9-21-25(34-35-26(21)31-12-19)27-32-23-14-30-13-22(24(23)33-27)17-5-4-6-20(28)8-17/h4-14H,3,15H2,1-2H3,(H,32,33)(H,31,34,35)
InChIKeyFITCDKDTYPIZKE-UHFFFAOYSA-N
XLogP5.22
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine 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 N-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine?
The IUPAC name of N-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine (CID 139418181) is N-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine.
What is the SMILES notation for N-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine?
The canonical SMILES for N-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine is CCN(C)Cc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine?
The InChIKey is FITCDKDTYPIZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN8/c1-3-36(2)15-16-7-18(11-29-10-16)19-9-21-25(34-35-26(21)31-12-19)27-32-23-14-30-13-22(24(23)33-27)17-5-4-6-20(28)8-17/h4-14H,3,15H2,1-2H3,(H,32,33)(H,31,34,35).
What are the key properties of N-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine?
N-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine has a molecular weight of 478.54 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N-methylethanamine is sourced from PubChem (CID 139418181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).