2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide

C33H34FN7O2S — CID 68542305

IUPAC2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESC[C@@H](Cc1cc(-c2ccn3c(-c4ccc(CC(=O)Nc5nnc(C6(C)CC6)s5)c(F)c4)cnc3c2)ccn1)N1CCOCC1
InChIInChI=1S/C33H34FN7O2S/c1-21(40-11-13-43-14-12-40)15-26-16-22(5-9-35-26)23-6-10-41-28(20-36-29(41)18-23)25-4-3-24(27(34)17-25)19-30(42)37-32-39-38-31(44-32)33(2)7-8-33/h3-6,9-10,16-18,20-21H,7-8,11-15,19H2,1-2H3,(H,37,39,42)/t21-/m0/s1
InChIKeyOLEBYXHJZCWCBT-NRFANRHFSA-N
MW611.75 g/mol
LogP5.55
Rot. Bonds9

About 2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 68542305) has the molecular formula C33H34FN7O2S and a molecular weight of 611.75 g/mol. Its IUPAC name is 2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID68542305
Molecular FormulaC33H34FN7O2S
Molecular Weight611.75 g/mol
Exact Mass611.25
IUPAC Name2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESC[C@@H](Cc1cc(-c2ccn3c(-c4ccc(CC(=O)Nc5nnc(C6(C)CC6)s5)c(F)c4)cnc3c2)ccn1)N1CCOCC1
InChIInChI=1S/C33H34FN7O2S/c1-21(40-11-13-43-14-12-40)15-26-16-22(5-9-35-26)23-6-10-41-28(20-36-29(41)18-23)25-4-3-24(27(34)17-25)19-30(42)37-32-39-38-31(44-32)33(2)7-8-33/h3-6,9-10,16-18,20-21H,7-8,11-15,19H2,1-2H3,(H,37,39,42)/t21-/m0/s1
InChIKeyOLEBYXHJZCWCBT-NRFANRHFSA-N
XLogP5.55
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide 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 2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 68542305) is 2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide is C[C@@H](Cc1cc(-c2ccn3c(-c4ccc(CC(=O)Nc5nnc(C6(C)CC6)s5)c(F)c4)cnc3c2)ccn1)N1CCOCC1.
What is the InChIKey of 2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is OLEBYXHJZCWCBT-NRFANRHFSA-N. The full InChI is InChI=1S/C33H34FN7O2S/c1-21(40-11-13-43-14-12-40)15-26-16-22(5-9-35-26)23-6-10-41-28(20-36-29(41)18-23)25-4-3-24(27(34)17-25)19-30(42)37-32-39-38-31(44-32)33(2)7-8-33/h3-6,9-10,16-18,20-21H,7-8,11-15,19H2,1-2H3,(H,37,39,42)/t21-/m0/s1.
What are the key properties of 2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 611.75 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[7-[2-[(2S)-2-morpholin-4-ylpropyl]-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 68542305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).