4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide

C33H23FN8O2S — CID 171599294

IUPAC4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide
SMILESNC(=O)c1nc2c(C(=O)NCc3ccc(-n4c(-c5cccnc5N)nc5ccc(-c6ccccc6)nc54)cc3)cc(F)cc2s1
InChIInChI=1S/C33H23FN8O2S/c34-20-15-23(27-26(16-20)45-33(41-27)29(36)43)32(44)38-17-18-8-10-21(11-9-18)42-30(22-7-4-14-37-28(22)35)40-25-13-12-24(39-31(25)42)19-5-2-1-3-6-19/h1-16H,17H2,(H2,35,37)(H2,36,43)(H,38,44)
InChIKeyLECHTUKJIHUDIU-UHFFFAOYSA-N
MW614.67 g/mol
LogP5.51
Rot. Bonds7

About 4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide

4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide (PubChem CID 171599294) has the molecular formula C33H23FN8O2S and a molecular weight of 614.67 g/mol. Its IUPAC name is 4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide
PubChem CID171599294
Molecular FormulaC33H23FN8O2S
Molecular Weight614.67 g/mol
Exact Mass614.16
IUPAC Name4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide
SMILESNC(=O)c1nc2c(C(=O)NCc3ccc(-n4c(-c5cccnc5N)nc5ccc(-c6ccccc6)nc54)cc3)cc(F)cc2s1
InChIInChI=1S/C33H23FN8O2S/c34-20-15-23(27-26(16-20)45-33(41-27)29(36)43)32(44)38-17-18-8-10-21(11-9-18)42-30(22-7-4-14-37-28(22)35)40-25-13-12-24(39-31(25)42)19-5-2-1-3-6-19/h1-16H,17H2,(H2,35,37)(H2,36,43)(H,38,44)
InChIKeyLECHTUKJIHUDIU-UHFFFAOYSA-N
XLogP5.51
TPSA154.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.67
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide 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

N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-cyano-5-fluoro-1,3-benzothiazole-7-carboxamide
CID 171496018
4-[1-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]ethenyl]-6-fluoro-1,3-benzothiazole-2-carboxamide;ethane
CID 171494710
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-[(Z)-N'-hydrazinylcarbamimidoyl]benzamide
CID 176947959
N-[[4-[5-(2-aminophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 58344965
N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 58344926
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[[(Z)-3-amino-4,4,4-trifluorobut-2-enoyl]amino]benzamide
CID 176947939
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane
CID 171496035
N'-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]butane-1,4-diamine
CID 171563268
N-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 58345044
N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide
CID 58345295
ethane;3-[3-(4-ethylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171102945

Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide?
The IUPAC name of 4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide (CID 171599294) is 4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide?
The canonical SMILES for 4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide is NC(=O)c1nc2c(C(=O)NCc3ccc(-n4c(-c5cccnc5N)nc5ccc(-c6ccccc6)nc54)cc3)cc(F)cc2s1.
What is the InChIKey of 4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide?
The InChIKey is LECHTUKJIHUDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23FN8O2S/c34-20-15-23(27-26(16-20)45-33(41-27)29(36)43)32(44)38-17-18-8-10-21(11-9-18)42-30(22-7-4-14-37-28(22)35)40-25-13-12-24(39-31(25)42)19-5-2-1-3-6-19/h1-16H,17H2,(H2,35,37)(H2,36,43)(H,38,44).
What are the key properties of 4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide?
4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide has a molecular weight of 614.67 g/mol, XLogP of 5.51, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide is sourced from PubChem (CID 171599294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).