N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide

C34H36FN3O3 — CID 177196884

IUPACN-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc(C2CC2)c(=O)n(CC2(O)CC2)c1)c1ccc(C(=C2CC3(CNC3)C2)c2ccc(F)cc2)cc1
InChIInChI=1S/C34H36FN3O3/c1-21(37-31(39)26-14-29(23-4-5-23)32(40)38(17-26)20-34(41)12-13-34)22-2-6-24(7-3-22)30(25-8-10-28(35)11-9-25)27-15-33(16-27)18-36-19-33/h2-3,6-11,14,17,21,23,36,41H,4-5,12-13,15-16,18-20H2,1H3,(H,37,39)/t21-/m1/s1
InChIKeyIZKSODMWUHIFIZ-OAQYLSRUSA-N
MW553.68 g/mol
LogP5.07
Rot. Bonds8

About N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide

N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 177196884) has the molecular formula C34H36FN3O3 and a molecular weight of 553.68 g/mol. Its IUPAC name is N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID177196884
Molecular FormulaC34H36FN3O3
Molecular Weight553.68 g/mol
Exact Mass553.27
IUPAC NameN-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc(C2CC2)c(=O)n(CC2(O)CC2)c1)c1ccc(C(=C2CC3(CNC3)C2)c2ccc(F)cc2)cc1
InChIInChI=1S/C34H36FN3O3/c1-21(37-31(39)26-14-29(23-4-5-23)32(40)38(17-26)20-34(41)12-13-34)22-2-6-24(7-3-22)30(25-8-10-28(35)11-9-25)27-15-33(16-27)18-36-19-33/h2-3,6-11,14,17,21,23,36,41H,4-5,12-13,15-16,18-20H2,1H3,(H,37,39)/t21-/m1/s1
InChIKeyIZKSODMWUHIFIZ-OAQYLSRUSA-N
XLogP5.07
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.68
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide 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-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 177196799
N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(5-fluoro-2-pyridinyl)methyl]phenyl]ethyl]-5-(2,5-dihydrofuran-3-yl)-1-[1-(fluoromethyl)cyclopropyl]-6-oxopyridine-3-carboxamide
CID 177196231
N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 177196944
N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-spiro[3.3]heptan-2-yloxypyridine-3-carboxamide
CID 177196803
N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidine-4-carboxamide
CID 177196578
N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-2-[4-(oxetane-3-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 177196375
5-(2,5-dihydrofuran-3-yl)-1-[1-(fluoromethyl)cyclopropyl]-N-[(1R)-1-[4-[(5-fluoro-2-pyridinyl)-(2-methyl-2-azaspiro[3.3]heptan-6-ylidene)methyl]phenyl]ethyl]-6-oxopyridine-3-carboxamide
CID 177196429
N-[(1R)-1-[4-[(4-fluorophenyl)-(2-methyl-2-azaspiro[3.3]heptan-6-ylidene)methyl]phenyl]ethyl]-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 177196671
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide
CID 12050154
4-bromo-3-(dioxolan-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 118669873
N-[(1R)-1-[4-[(4-fluorophenyl)-[2-(oxetan-3-ylmethyl)-2-azaspiro[3.3]heptan-6-ylidene]methyl]phenyl]ethyl]-2-(oxan-4-yl)pyrimidine-4-carboxamide
CID 177196889

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide (CID 177196884) is N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide is C[C@@H](NC(=O)c1cc(C2CC2)c(=O)n(CC2(O)CC2)c1)c1ccc(C(=C2CC3(CNC3)C2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is IZKSODMWUHIFIZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C34H36FN3O3/c1-21(37-31(39)26-14-29(23-4-5-23)32(40)38(17-26)20-34(41)12-13-34)22-2-6-24(7-3-22)30(25-8-10-28(35)11-9-25)27-15-33(16-27)18-36-19-33/h2-3,6-11,14,17,21,23,36,41H,4-5,12-13,15-16,18-20H2,1H3,(H,37,39)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide?
N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 553.68 g/mol, XLogP of 5.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 177196884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).