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

C35H36F2N4O3 — CID 177196429

IUPAC5-(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
SMILESC[C@@H](NC(=O)c1cc(C2=CCOC2)c(=O)n(C2(CF)CC2)c1)c1ccc(C(=C2CC3(C2)CN(C)C3)c2ccc(F)cn2)cc1
InChIInChI=1S/C35H36F2N4O3/c1-22(39-32(42)26-13-29(25-9-12-44-18-25)33(43)41(17-26)35(19-36)10-11-35)23-3-5-24(6-4-23)31(30-8-7-28(37)16-38-30)27-14-34(15-27)20-40(2)21-34/h3-9,13,16-17,22H,10-12,14-15,18-21H2,1-2H3,(H,39,42)/t22-/m1/s1
InChIKeyYPXOBBPCTXXJDD-JOCHJYFZSA-N
MW598.69 g/mol
LogP5.27
Rot. Bonds8

About 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

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 (PubChem CID 177196429) has the molecular formula C35H36F2N4O3 and a molecular weight of 598.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID177196429
Molecular FormulaC35H36F2N4O3
Molecular Weight598.69 g/mol
Exact Mass598.28
IUPAC Name5-(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
SMILESC[C@@H](NC(=O)c1cc(C2=CCOC2)c(=O)n(C2(CF)CC2)c1)c1ccc(C(=C2CC3(C2)CN(C)C3)c2ccc(F)cn2)cc1
InChIInChI=1S/C35H36F2N4O3/c1-22(39-32(42)26-13-29(25-9-12-44-18-25)33(43)41(17-26)35(19-36)10-11-35)23-3-5-24(6-4-23)31(30-8-7-28(37)16-38-30)27-14-34(15-27)20-40(2)21-34/h3-9,13,16-17,22H,10-12,14-15,18-21H2,1-2H3,(H,39,42)/t22-/m1/s1
InChIKeyYPXOBBPCTXXJDD-JOCHJYFZSA-N
XLogP5.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.69
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-[(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
N-[(1R)-1-[4-[(2-methyl-2-azaspiro[3.3]heptan-6-ylidene)-(4-methylphenyl)methyl]phenyl]ethyl]-5-(oxetan-3-ylmethoxy)pyridine-3-carboxamide
CID 177196458
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
N-[(1R)-1-[4-[(4-fluorophenyl)-(2-methyl-2-azaspiro[3.3]heptan-6-ylidene)methyl]phenyl]ethyl]-6-[4-(oxetane-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 177196594
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
tert-butyl 4-[5-[[(1R)-1-[4-[(4-fluorophenyl)-(2-methyl-2-azaspiro[3.3]heptan-6-ylidene)methyl]phenyl]ethyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 177196945
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
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
tert-butyl 6-[(4-fluorophenyl)-[4-[(1R)-1-[(4-methoxypyridine-2-carbonyl)amino]ethyl]phenyl]methylidene]-2-azaspiro[3.3]heptane-2-carboxylate
CID 177196854
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
tert-butyl 6-[(4-fluorophenyl)-[4-[(1R)-1-[(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]ethyl]phenyl]methylidene]-2-azaspiro[3.3]heptane-2-carboxylate
CID 177196965

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](NC(=O)c1cc(C2=CCOC2)c(=O)n(C2(CF)CC2)c1)c1ccc(C(=C2CC3(C2)CN(C)C3)c2ccc(F)cn2)cc1.
What is the InChIKey of 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?
The InChIKey is YPXOBBPCTXXJDD-JOCHJYFZSA-N. The full InChI is InChI=1S/C35H36F2N4O3/c1-22(39-32(42)26-13-29(25-9-12-44-18-25)33(43)41(17-26)35(19-36)10-11-35)23-3-5-24(6-4-23)31(30-8-7-28(37)16-38-30)27-14-34(15-27)20-40(2)21-34/h3-9,13,16-17,22H,10-12,14-15,18-21H2,1-2H3,(H,39,42)/t22-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 598.69 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177196429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).