(4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile

C18H13BrF3N3O — CID 163565572

IUPAC(4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile
SMILESN#CC1=CN2C[C@@]3(CCCc4c3ccc(Br)c4F)N=C2C(OC(F)F)=C1
InChIInChI=1S/C18H13BrF3N3O/c19-13-4-3-12-11(15(13)20)2-1-5-18(12)9-25-8-10(7-23)6-14(16(25)24-18)26-17(21)22/h3-4,6,8,17H,1-2,5,9H2/t18-/m1/s1
InChIKeyFUWYSNZURHTTTO-GOSISDBHSA-N
MW424.22 g/mol
LogP4.38
Rot. Bonds2

About (4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile

(4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile (PubChem CID 163565572) has the molecular formula C18H13BrF3N3O and a molecular weight of 424.22 g/mol. Its IUPAC name is (4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile.

Molecular Properties

Compound Name(4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile
PubChem CID163565572
Molecular FormulaC18H13BrF3N3O
Molecular Weight424.22 g/mol
Exact Mass423.02
IUPAC Name(4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile
SMILESN#CC1=CN2C[C@@]3(CCCc4c3ccc(Br)c4F)N=C2C(OC(F)F)=C1
InChIInChI=1S/C18H13BrF3N3O/c19-13-4-3-12-11(15(13)20)2-1-5-18(12)9-25-8-10(7-23)6-14(16(25)24-18)26-17(21)22/h3-4,6,8,17H,1-2,5,9H2/t18-/m1/s1
InChIKeyFUWYSNZURHTTTO-GOSISDBHSA-N
XLogP4.38
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.22
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile with MolForge

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Related Compounds

US12226405, Example 4
CID 163597954
US12226405, Example 8
CID 164069857
US12226405, Example 91
CID 166499523
US12226405, Example 85
CID 166499549
US12226405, Example 17
CID 166499552
US12226405, Example 5
CID 166499564
US12226405, Example 72
CID 166499584
US12226405, Example 9
CID 166499622
US12226405, Example 11
CID 166499645
US12226405, Example 23
CID 166499647
US12226405, Example 35
CID 166499666
US12226405, Example 25
CID 166499676

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The IUPAC name of (4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile (CID 163565572) is (4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile.
What is the SMILES notation for (4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The canonical SMILES for (4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile is N#CC1=CN2C[C@@]3(CCCc4c3ccc(Br)c4F)N=C2C(OC(F)F)=C1.
What is the InChIKey of (4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
The InChIKey is FUWYSNZURHTTTO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H13BrF3N3O/c19-13-4-3-12-11(15(13)20)2-1-5-18(12)9-25-8-10(7-23)6-14(16(25)24-18)26-17(21)22/h3-4,6,8,17H,1-2,5,9H2/t18-/m1/s1.
What are the key properties of (4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile?
(4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile has a molecular weight of 424.22 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-8'-(difluoromethoxy)-8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]-6'-carbonitrile is sourced from PubChem (CID 163565572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).