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

C34H34F2N4O3 — CID 177196231

IUPACN-[(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
SMILESC[C@@H](NC(=O)c1cc(C2=CCOC2)c(=O)n(C2(CF)CC2)c1)c1ccc(C(=C2CC3(CNC3)C2)c2ccc(F)cn2)cc1
InChIInChI=1S/C34H34F2N4O3/c1-21(39-31(41)25-12-28(24-8-11-43-17-24)32(42)40(16-25)34(18-35)9-10-34)22-2-4-23(5-3-22)30(29-7-6-27(36)15-38-29)26-13-33(14-26)19-37-20-33/h2-8,12,15-16,21,37H,9-11,13-14,17-20H2,1H3,(H,39,41)/t21-/m1/s1
InChIKeyNAIRTBPVKFCVRA-OAQYLSRUSA-N
MW584.67 g/mol
LogP4.93
Rot. Bonds8

About 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

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 (PubChem CID 177196231) has the molecular formula C34H34F2N4O3 and a molecular weight of 584.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID177196231
Molecular FormulaC34H34F2N4O3
Molecular Weight584.67 g/mol
Exact Mass584.26
IUPAC NameN-[(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
SMILESC[C@@H](NC(=O)c1cc(C2=CCOC2)c(=O)n(C2(CF)CC2)c1)c1ccc(C(=C2CC3(CNC3)C2)c2ccc(F)cn2)cc1
InChIInChI=1S/C34H34F2N4O3/c1-21(39-31(41)25-12-28(24-8-11-43-17-24)32(42)40(16-25)34(18-35)9-10-34)22-2-4-23(5-3-22)30(29-7-6-27(36)15-38-29)26-13-33(14-26)19-37-20-33/h2-8,12,15-16,21,37H,9-11,13-14,17-20H2,1H3,(H,39,41)/t21-/m1/s1
InChIKeyNAIRTBPVKFCVRA-OAQYLSRUSA-N
XLogP4.93
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.67
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-cyclopropyl-1-[(1-hydroxycyclopropyl)methyl]-6-oxopyridine-3-carboxamide
CID 177196884
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
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]-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]-5-[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 177196799
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
tert-butyl 6-[(5-fluoro-2-pyridinyl)-[4-[(1R)-1-[[2-[(3R)-oxolan-3-yl]oxypyrimidine-4-carbonyl]amino]ethyl]phenyl]methylidene]-2-azaspiro[3.3]heptane-2-carboxylate
CID 177196289
tert-butyl 6-[[4-[(1R)-1-[(2-chloropyrimidine-4-carbonyl)amino]ethyl]phenyl]-(5-fluoro-2-pyridinyl)methylidene]-2-azaspiro[3.3]heptane-2-carboxylate
CID 177196304
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662948
5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide
CID 177196991
N-[(1R)-1-[4-[(4-fluorophenyl)-(2-methyl-2-azaspiro[3.3]heptan-6-ylidene)methyl]phenyl]ethyl]-5-(7-oxa-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxamide
CID 177196442

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](NC(=O)c1cc(C2=CCOC2)c(=O)n(C2(CF)CC2)c1)c1ccc(C(=C2CC3(CNC3)C2)c2ccc(F)cn2)cc1.
What is the InChIKey of 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?
The InChIKey is NAIRTBPVKFCVRA-OAQYLSRUSA-N. The full InChI is InChI=1S/C34H34F2N4O3/c1-21(39-31(41)25-12-28(24-8-11-43-17-24)32(42)40(16-25)34(18-35)9-10-34)22-2-4-23(5-3-22)30(29-7-6-27(36)15-38-29)26-13-33(14-26)19-37-20-33/h2-8,12,15-16,21,37H,9-11,13-14,17-20H2,1H3,(H,39,41)/t21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 584.67 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177196231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).