5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide

C25H20BrFN6O2S — CID 168886235

IUPAC5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H](n2c(-c3ncccc3F)nc3cnc(-c4ncco4)cc32)C1)c1ccc(Br)s1
InChIInChI=1S/C25H20BrFN6O2S/c26-21-7-6-20(36-21)24(34)31-14-3-1-4-15(11-14)33-19-12-17(25-29-9-10-35-25)30-13-18(19)32-23(33)22-16(27)5-2-8-28-22/h2,5-10,12-15H,1,3-4,11H2,(H,31,34)/t14-,15+/m0/s1
InChIKeyLVMQCRTYARIQQU-LSDHHAIUSA-N
MW567.44 g/mol
LogP6.03
Rot. Bonds5

About 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide

5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide (PubChem CID 168886235) has the molecular formula C25H20BrFN6O2S and a molecular weight of 567.44 g/mol. Its IUPAC name is 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
PubChem CID168886235
Molecular FormulaC25H20BrFN6O2S
Molecular Weight567.44 g/mol
Exact Mass566.05
IUPAC Name5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H](n2c(-c3ncccc3F)nc3cnc(-c4ncco4)cc32)C1)c1ccc(Br)s1
InChIInChI=1S/C25H20BrFN6O2S/c26-21-7-6-20(36-21)24(34)31-14-3-1-4-15(11-14)33-19-12-17(25-29-9-10-35-25)30-13-18(19)32-23(33)22-16(27)5-2-8-28-22/h2,5-10,12-15H,1,3-4,11H2,(H,31,34)/t14-,15+/m0/s1
InChIKeyLVMQCRTYARIQQU-LSDHHAIUSA-N
XLogP6.03
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.44
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide 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 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide (CID 168886235) is 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide is O=C(N[C@H]1CCC[C@@H](n2c(-c3ncccc3F)nc3cnc(-c4ncco4)cc32)C1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide?
The InChIKey is LVMQCRTYARIQQU-LSDHHAIUSA-N. The full InChI is InChI=1S/C25H20BrFN6O2S/c26-21-7-6-20(36-21)24(34)31-14-3-1-4-15(11-14)33-19-12-17(25-29-9-10-35-25)30-13-18(19)32-23(33)22-16(27)5-2-8-28-22/h2,5-10,12-15H,1,3-4,11H2,(H,31,34)/t14-,15+/m0/s1.
What are the key properties of 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide?
5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide has a molecular weight of 567.44 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 168886235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).