1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine

C25H18F2N8 — CID 145034460

IUPAC1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncnc6)cc45)nc23)c1
InChIInChI=1S/C25H18F2N8/c1-28-9-13-4-14(6-16(26)5-13)22-24-20(2-3-31-22)32-25(33-24)23-18-7-17(15-10-29-12-30-11-15)19(27)8-21(18)34-35-23/h2-8,10-12,28H,9H2,1H3,(H,32,33)(H,34,35)
InChIKeyVSYSTJGUHLZRKZ-UHFFFAOYSA-N
MW468.47 g/mol
LogP4.62
Rot. Bonds5

About 1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine

1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine (PubChem CID 145034460) has the molecular formula C25H18F2N8 and a molecular weight of 468.47 g/mol. Its IUPAC name is 1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine
PubChem CID145034460
Molecular FormulaC25H18F2N8
Molecular Weight468.47 g/mol
Exact Mass468.16
IUPAC Name1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncnc6)cc45)nc23)c1
InChIInChI=1S/C25H18F2N8/c1-28-9-13-4-14(6-16(26)5-13)22-24-20(2-3-31-22)32-25(33-24)23-18-7-17(15-10-29-12-30-11-15)19(27)8-21(18)34-35-23/h2-8,10-12,28H,9H2,1H3,(H,32,33)(H,34,35)
InChIKeyVSYSTJGUHLZRKZ-UHFFFAOYSA-N
XLogP4.62
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine 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

ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene
CID 145034545
N-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-6-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 136936342
N-[[5-[6-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136935976
4-(4-fluorophenyl)-2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136935966
4-(4-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136935968
2-(6-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine
CID 136936034
N-[3-fluoro-5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136936344
N-[[3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 136946201
N-[5-[6-fluoro-3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158088202
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 136936320
N-[5-[6-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136935962
N-[[3-fluoro-5-[2-(4-fluoro-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 136946240

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine (CID 145034460) is 1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine is CNCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncnc6)cc45)nc23)c1.
What is the InChIKey of 1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine?
The InChIKey is VSYSTJGUHLZRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N8/c1-28-9-13-4-14(6-16(26)5-13)22-24-20(2-3-31-22)32-25(33-24)23-18-7-17(15-10-29-12-30-11-15)19(27)8-21(18)34-35-23/h2-8,10-12,28H,9H2,1H3,(H,32,33)(H,34,35).
What are the key properties of 1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine?
1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine has a molecular weight of 468.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 145034460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).