3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

C26H30ClFN8O — CID 71450374

IUPAC3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5F)[nH]c34)CC2)no1
InChIInChI=1S/C26H30ClFN8O/c1-17-13-18(32-37-17)16-34-7-11-36(12-8-34)24-21(27)15-29-26-23(24)30-25(31-26)20-4-3-19(14-22(20)28)35-9-5-33(2)6-10-35/h3-4,13-15H,5-12,16H2,1-2H3,(H,29,30,31)
InChIKeyOKSCRFTUADBBFT-UHFFFAOYSA-N
MW525.03 g/mol
LogP3.79
Rot. Bonds5

About 3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 71450374) has the molecular formula C26H30ClFN8O and a molecular weight of 525.03 g/mol. Its IUPAC name is 3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID71450374
Molecular FormulaC26H30ClFN8O
Molecular Weight525.03 g/mol
Exact Mass524.22
IUPAC Name3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5F)[nH]c34)CC2)no1
InChIInChI=1S/C26H30ClFN8O/c1-17-13-18(32-37-17)16-34-7-11-36(12-8-34)24-21(27)15-29-26-23(24)30-25(31-26)20-4-3-19(14-22(20)28)35-9-5-33(2)6-10-35/h3-4,13-15H,5-12,16H2,1-2H3,(H,29,30,31)
InChIKeyOKSCRFTUADBBFT-UHFFFAOYSA-N
XLogP3.79
TPSA80.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.03
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole 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

3-((4-(6-bromo-2-(4-(4-methylpiperazin-1-yl)phenyl)-3H-imidazo(4,5-b)pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole
CID 25154041
(4-(6-Chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridin-2-yl)phenyl)methanamine
CID 25151778
3-[[4-[6-bromo-2-(4-piperazin-1-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 25153624
(4-(6-Bromo-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)phenyl)methanamine
CID 25153836
1-[4-[6-bromo-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine
CID 25153837
6-Bromo-7-[4-(5-methyl-isoxazol-3-ylmethyl)-piperazin-1-yl]-2-(4-morpholin-4-ylmethyl-phenyl)-3H-imidazo[4,5-b]pyridine
CID 46867128
3-[[4-[6-chloro-2-[3-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 71455744
5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334971
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)pyridin-2-yl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334974
4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334976
5-[(5-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334979
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)pyridin-2-yl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334980

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 71450374) is 3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5F)[nH]c34)CC2)no1.
What is the InChIKey of 3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is OKSCRFTUADBBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN8O/c1-17-13-18(32-37-17)16-34-7-11-36(12-8-34)24-21(27)15-29-26-23(24)30-25(31-26)20-4-3-19(14-22(20)28)35-9-5-33(2)6-10-35/h3-4,13-15H,5-12,16H2,1-2H3,(H,29,30,31).
What are the key properties of 3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 525.03 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[6-chloro-2-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 71450374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).